1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H32N2 — CID 104581873

IUPAC1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESC=CCCC(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H32N2/c1-6-7-10-15(3)17-13-16(18(4)5)11-8-9-14(2)12-16/h6,14-15,17H,1,7-13H2,2-5H3
InChIKeyLVXPQJCEBRQYFD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.44
Rot. Bonds7

About 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 104581873) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID104581873
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESC=CCCC(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H32N2/c1-6-7-10-15(3)17-13-16(18(4)5)11-8-9-14(2)12-16/h6,14-15,17H,1,7-13H2,2-5H3
InChIKeyLVXPQJCEBRQYFD-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301
N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
CID 61210795
1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
CID 55032865
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
N,N,3-trimethyl-1-[(2-propan-2-yloxyethylamino)methyl]cyclohexan-1-amine
CID 54957909
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555

Frequently Asked Questions

What is the IUPAC name of 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 104581873) is 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is C=CCCC(C)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is LVXPQJCEBRQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-7-10-15(3)17-13-16(18(4)5)11-8-9-14(2)12-16/h6,14-15,17H,1,7-13H2,2-5H3.
What are the key properties of 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 104581873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).