1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine

C22H37N — CID 143357601

IUPAC1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine
SMILESC=C(C)NC(C(=C)C1CC2C(C1C)C2(C)C)C1(C)CCCCC1
InChIInChI=1S/C22H37N/c1-14(2)23-20(22(7)11-9-8-10-12-22)16(4)17-13-18-19(15(17)3)21(18,5)6/h15,17-20,23H,1,4,8-13H2,2-3,5-7H3
InChIKeyXFCVIFYSGMKQGD-UHFFFAOYSA-N
MW315.55 g/mol
LogP5.93
Rot. Bonds5

About 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine

1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine (PubChem CID 143357601) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine
PubChem CID143357601
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine
SMILESC=C(C)NC(C(=C)C1CC2C(C1C)C2(C)C)C1(C)CCCCC1
InChIInChI=1S/C22H37N/c1-14(2)23-20(22(7)11-9-8-10-12-22)16(4)17-13-18-19(15(17)3)21(18,5)6/h15,17-20,23H,1,4,8-13H2,2-3,5-7H3
InChIKeyXFCVIFYSGMKQGD-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine with MolForge

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Related Compounds

ethane;1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine;5-methylhex-5-en-2-ylcyclohexane;4-methyl-3-methylidene-N-propyloct-1-en-7-yn-2-amine;propane;prop-1-ene
CID 143357600
1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one
CID 143353919
2-methyl-1-(1-methylcyclopentyl)-N-propylprop-2-en-1-amine
CID 105005477
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007
methyl-[1-[2-(1-methylcyclohexyl)-2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]borinic acid
CID 163833541
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
methylcyclohexane;2-methylprop-1-ene;N-prop-1-en-2-ylcycloheptanamine
CID 143541445
2,5-dihydro-1H-pyrrol-2-yl-(1-methylcyclohexyl)methanol
CID 130964592
2-(1-methylcyclopentyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167737694
2-N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-2-N-methyl-1-(1-methylcyclohexyl)-1-N-[1-(3-methylheptan-4-ylamino)ethenyl]prop-2-ene-1,2-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;ethane;methane
CID 143352518

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine?
The IUPAC name of 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine (CID 143357601) is 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine?
The canonical SMILES for 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine is C=C(C)NC(C(=C)C1CC2C(C1C)C2(C)C)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine?
The InChIKey is XFCVIFYSGMKQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-14(2)23-20(22(7)11-9-8-10-12-22)16(4)17-13-18-19(15(17)3)21(18,5)6/h15,17-20,23H,1,4,8-13H2,2-3,5-7H3.
What are the key properties of 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine?
1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine has a molecular weight of 315.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine is sourced from PubChem (CID 143357601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).