1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine

C52H104N4 — CID 143352328

IUPAC1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine
SMILESC=C(C)NC(C(=C)C)C1CCCCC1.C=C(CCC(C)C(C)(C)C)NC(C)C.C=C(NC(C)CCC)C(C)C[C@@H](C)CC.C=CCNC(=C)C=C.CC.CCC
InChIInChI=1S/C14H29N.C13H23N.C13H27N.C7H11N.C3H8.C2H6/c1-7-9-13(5)15-14(6)12(4)10-11(3)8-2;1-10(2)13(14-11(3)4)12-8-6-5-7-9-12;1-10(2)14-12(4)9-8-11(3)13(5,6)7;1-4-6-8-7(3)5-2;1-3-2;1-2/h11-13,15H,6-10H2,1-5H3;12-14H,1,3,5-9H2,2,4H3;10-11,14H,4,8-9H2,1-3,5-7H3;4-5,8H,1-3,6H2;3H2,1-2H3;1-2H3/t11-,12?,13?;;;;;/m0...../s1
InChIKeyROVMIOPCDZFYLB-SLFSPCHHSA-N
MW785.43 g/mol
LogP15.85
Rot. Bonds21

About 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine

1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine (PubChem CID 143352328) has the molecular formula C52H104N4 and a molecular weight of 785.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine
PubChem CID143352328
Molecular FormulaC52H104N4
Molecular Weight785.43 g/mol
Exact Mass784.83
IUPAC Name1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine
SMILESC=C(C)NC(C(=C)C)C1CCCCC1.C=C(CCC(C)C(C)(C)C)NC(C)C.C=C(NC(C)CCC)C(C)C[C@@H](C)CC.C=CCNC(=C)C=C.CC.CCC
InChIInChI=1S/C14H29N.C13H23N.C13H27N.C7H11N.C3H8.C2H6/c1-7-9-13(5)15-14(6)12(4)10-11(3)8-2;1-10(2)13(14-11(3)4)12-8-6-5-7-9-12;1-10(2)14-12(4)9-8-11(3)13(5,6)7;1-4-6-8-7(3)5-2;1-3-2;1-2/h11-13,15H,6-10H2,1-5H3;12-14H,1,3,5-9H2,2,4H3;10-11,14H,4,8-9H2,1-3,5-7H3;4-5,8H,1-3,6H2;3H2,1-2H3;1-2H3/t11-,12?,13?;;;;;/m0...../s1
InChIKeyROVMIOPCDZFYLB-SLFSPCHHSA-N
XLogP15.85
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.43
LogP ≤ 515.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine
CID 89065777
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737
6-[[3-tert-butyl-4-(methylamino)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 129135097
trans-(1S,3R)-N-(4,4-dimethylpent-1-en-2-yl)-3-[(Z,3Z)-3-ethylidenehex-4-enyl]cyclohexan-1-amine
CID 134188042
(9E,11E)-12-(3-ethyl-3-methylcyclohexyl)-N-[(3Z)-hexa-1,3-dien-2-yl]-2,5,10-trimethyldodeca-9,11-dien-4-amine
CID 134550357
(3E,5E)-6-N,3,8-trimethyl-2-N-[[1-[(Z)-pent-3-en-2-yl]cyclohexyl]methyl]nona-1,3,5,8-tetraene-2,6-diamine
CID 134567008
1-N-[6-methyl-5-[1-[4-[(21-methyldocosa-1,21-dien-2-ylamino)methyl]cyclohexyl]ethenylamino]hepta-1,6-dien-2-yl]-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine
CID 137429274
N-buta-1,3-dien-2-yl-1-cyclopentyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-2-methylidenepentan-1-amine;but-1-ene;2-cyclopropylethanamine;ethane;2-methyl-3-methylidene-4-propylhepta-1,6-diene
CID 142109744
bis(but-1-ene);1-cyclohexyl-5-(2-ethylcyclopropyl)-6-methyl-3-methylidene-N-prop-1-en-2-ylhept-6-en-2-amine;2,2-dimethylbutane;2,3-dimethylbut-1-ene;propane;prop-1-ene
CID 142110145
1-cyclohexyl-4-(3-ethyl-2,2-dimethylcyclopropyl)-5-methyl-2-methylidene-N-prop-1-en-2-ylhex-5-en-1-amine;2,3-dimethylhex-1-ene;2,2-dimethylpropane;1-pent-4-enylcyclohexene
CID 142110165
but-1-ene;2,4-dimethyl-3-methylidenehept-1-ene;2-ethyl-1,1-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropane;N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
CID 142110249
butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane
CID 142170490

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine?
The IUPAC name of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine (CID 143352328) is 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine?
The canonical SMILES for 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine is C=C(C)NC(C(=C)C)C1CCCCC1.C=C(CCC(C)C(C)(C)C)NC(C)C.C=C(NC(C)CCC)C(C)C[C@@H](C)CC.C=CCNC(=C)C=C.CC.CCC.
What is the InChIKey of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine?
The InChIKey is ROVMIOPCDZFYLB-SLFSPCHHSA-N. The full InChI is InChI=1S/C14H29N.C13H23N.C13H27N.C7H11N.C3H8.C2H6/c1-7-9-13(5)15-14(6)12(4)10-11(3)8-2;1-10(2)13(14-11(3)4)12-8-6-5-7-9-12;1-10(2)14-12(4)9-8-11(3)13(5,6)7;1-4-6-8-7(3)5-2;1-3-2;1-2/h11-13,15H,6-10H2,1-5H3;12-14H,1,3,5-9H2,2,4H3;10-11,14H,4,8-9H2,1-3,5-7H3;4-5,8H,1-3,6H2;3H2,1-2H3;1-2H3/t11-,12?,13?;;;;;/m0...../s1.
What are the key properties of 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine?
1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine has a molecular weight of 785.43 g/mol, XLogP of 15.85, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-N-prop-1-en-2-ylprop-2-en-1-amine;(5S)-3,5-dimethyl-N-pentan-2-ylhept-1-en-2-amine;ethane;propane;N-prop-2-enylbuta-1,3-dien-2-amine;5,6,6-trimethyl-N-propan-2-ylhept-1-en-2-amine is sourced from PubChem (CID 143352328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).