1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H34N2 — CID 61212108

IUPAC1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCCCC(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H34N2/c1-6-7-10-15(3)17-13-16(18(4)5)11-8-9-14(2)12-16/h14-15,17H,6-13H2,1-5H3
InChIKeyIATOGVRLTHBORW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 61212108) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID61212108
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCCCC(C)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H34N2/c1-6-7-10-15(3)17-13-16(18(4)5)11-8-9-14(2)12-16/h14-15,17H,6-13H2,1-5H3
InChIKeyIATOGVRLTHBORW-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104581873
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
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
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
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
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904

Frequently Asked Questions

What is the IUPAC name of 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 61212108) is 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is CCCCC(C)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is IATOGVRLTHBORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-10-15(3)17-13-16(18(4)5)11-8-9-14(2)12-16/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61212108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).