3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine

C19H36N2 — CID 170057296

IUPAC3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine
SMILESC=CNCC1(C)CC(NC(=C)CCCCC)CC(C)(C)C1
InChIInChI=1S/C19H36N2/c1-7-9-10-11-16(3)21-17-12-18(4,5)14-19(6,13-17)15-20-8-2/h8,17,20-21H,2-3,7,9-15H2,1,4-6H3
InChIKeyOKWMAUZZYMHHIX-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.99
Rot. Bonds9

About 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine

3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine (PubChem CID 170057296) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine
PubChem CID170057296
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine
SMILESC=CNCC1(C)CC(NC(=C)CCCCC)CC(C)(C)C1
InChIInChI=1S/C19H36N2/c1-7-9-10-11-16(3)21-17-12-18(4,5)14-19(6,13-17)15-20-8-2/h8,17,20-21H,2-3,7,9-15H2,1,4-6H3
InChIKeyOKWMAUZZYMHHIX-UHFFFAOYSA-N
XLogP4.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydrazinylethenyl)-3-[(1-hydrazinylethenylamino)methyl]-3,5,5-trimethylcyclohexan-1-amine
CID 166668421
1-hexyl-3-[3-[(hexylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 102304499
O-decyl N-[3-[(decoxycarbothioylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamothioate
CID 118660514
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950
1-butyl-3-[[1,3,3-trimethyl-5-(methylcarbamoylamino)cyclohexyl]methyl]urea
CID 144717418
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
propyl N-[[1,3,3-trimethyl-5-(2-octyldodecoxycarbonylamino)cyclohexyl]methyl]carbamate
CID 59172081
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830
1-[2-(dibutylamino)ethyl]-3-[3-[[2-(dibutylamino)ethylcarbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]urea
CID 59782302
dodecyl-methyl-bis[2-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxy]ethyl]azanium
CID 102492920
2,2-difluoroethyl N-[3-(formamidomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 131993634
dodecyl 3-[[5-[(3-dodecoxy-3-oxopropyl)amino]-1,3,3-trimethylcyclohexyl]methylamino]propanoate
CID 90207658

Frequently Asked Questions

What is the IUPAC name of 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine?
The IUPAC name of 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine (CID 170057296) is 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine is C=CNCC1(C)CC(NC(=C)CCCCC)CC(C)(C)C1.
What is the InChIKey of 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine?
The InChIKey is OKWMAUZZYMHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-7-9-10-11-16(3)21-17-12-18(4,5)14-19(6,13-17)15-20-8-2/h8,17,20-21H,2-3,7,9-15H2,1,4-6H3.
What are the key properties of 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine?
3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethenylamino)methyl]-N-hept-1-en-2-yl-3,5,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 170057296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).