(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

C27H53N — CID 142281255

IUPAC(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C(/CC)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C24H45N.C3H8/c1-11-18(3)13-14-19(4)20(5)15-16-21(6)22(7)17-24(12-2)23(8)25(9)10;1-3-2/h17-21H,7-8,11-16H2,1-6,9-10H3;3H2,1-2H3/b24-17-;
InChIKeyBFBQSJOVFIRFKY-IJVOEZGUSA-N
MW391.73 g/mol
LogP8.89
Rot. Bonds13

About (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (PubChem CID 142281255) has the molecular formula C27H53N and a molecular weight of 391.73 g/mol. Its IUPAC name is (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.

Molecular Properties

Compound Name(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
PubChem CID142281255
Molecular FormulaC27H53N
Molecular Weight391.73 g/mol
Exact Mass391.42
IUPAC Name(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C=C(/CC)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C24H45N.C3H8/c1-11-18(3)13-14-19(4)20(5)15-16-21(6)22(7)17-24(12-2)23(8)25(9)10;1-3-2/h17-21H,7-8,11-16H2,1-6,9-10H3;3H2,1-2H3/b24-17-;
InChIKeyBFBQSJOVFIRFKY-IJVOEZGUSA-N
XLogP8.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.73
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
CID 142281793
N,N-dimethyl-2-[2,4,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 57277832
N-tert-butyl-3-(2,4-dimethylcyclohex-3-en-1-yl)-2-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 68302295
N-[(E)-3-(2,4-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-prop-1-en-2-ylbutan-1-amine
CID 68302358
N,N-bis(2-ethylhexyl)-3-propan-2-ylidenecyclohexen-1-amine
CID 68377409
N,N-dimethyl-2-[2,3,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 88253244
2-ethyl-N-[(Z)-hex-2-en-3-yl]-3,7-dimethyl-N-(2-methylpropyl)oct-6-en-1-amine
CID 88928174
5-hex-5-en-3-yl-N,N-dimethyl-6-methylidenecyclohexa-1,3-dien-1-amine
CID 89258527
N-[(1Z,3Z)-2-but-3-en-2-ylhexa-1,3,5-trienyl]-4-hept-6-en-3-yl-N,5-dimethylcyclohexa-1,5-dien-1-amine
CID 89965355
1-[(2E,4E,10E)-11-ethyl-13-methyl-5-propan-2-ylpentadeca-2,4,10-trien-3-yl]pyrrolidine
CID 89973109

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The IUPAC name of (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (CID 142281255) is (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.
What is the SMILES notation for (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The canonical SMILES for (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is C=C(/C=C(/CC)C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.
What is the InChIKey of (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The InChIKey is BFBQSJOVFIRFKY-IJVOEZGUSA-N. The full InChI is InChI=1S/C24H45N.C3H8/c1-11-18(3)13-14-19(4)20(5)15-16-21(6)22(7)17-24(12-2)23(8)25(9)10;1-3-2/h17-21H,7-8,11-16H2,1-6,9-10H3;3H2,1-2H3/b24-17-;.
What are the key properties of (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane has a molecular weight of 391.73 g/mol, XLogP of 8.89, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is sourced from PubChem (CID 142281255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).