1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C17H34N2 — CID 79075132

IUPAC1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)C2(N(C)C)CCCC(C)C2)C1
InChIInChI=1S/C17H34N2/c1-13-7-5-9-15(11-13)16(18)17(19(3)4)10-6-8-14(2)12-17/h13-16H,5-12,18H2,1-4H3
InChIKeyBDAHSPZXQJJXSH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79075132) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79075132
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)C2(N(C)C)CCCC(C)C2)C1
InChIInChI=1S/C17H34N2/c1-13-7-5-9-15(11-13)16(18)17(19(3)4)10-6-8-14(2)12-17/h13-16H,5-12,18H2,1-4H3
InChIKeyBDAHSPZXQJJXSH-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613
1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070124
[1-(dimethylamino)cyclopentyl]-(3-methylcyclohexyl)methanol
CID 79067467
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074760
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074764
1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 114475288
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775
1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102651862
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79075132) is 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)C2(N(C)C)CCCC(C)C2)C1.
What is the InChIKey of 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is BDAHSPZXQJJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-7-5-9-15(11-13)16(18)17(19(3)4)10-6-8-14(2)12-17/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-methylcyclohexyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79075132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).