N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine

C13H27N3 — CID 83011943

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine
SMILESCC1CCCCC1(CN)NN1CCCCC1
InChIInChI=1S/C13H27N3/c1-12-7-3-4-8-13(12,11-14)15-16-9-5-2-6-10-16/h12,15H,2-11,14H2,1H3
InChIKeyIQKOSKBYNIOHFT-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.88
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine (PubChem CID 83011943) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine
PubChem CID83011943
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine
SMILESCC1CCCCC1(CN)NN1CCCCC1
InChIInChI=1S/C13H27N3/c1-12-7-3-4-8-13(12,11-14)15-16-9-5-2-6-10-16/h12,15H,2-11,14H2,1H3
InChIKeyIQKOSKBYNIOHFT-UHFFFAOYSA-N
XLogP1.88
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]piperidin-1-amine
CID 83011621
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]piperidin-1-amine
CID 83011927
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]piperidin-1-amine
CID 83010910
1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382192
1-(aminomethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 65045214
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
CID 115308452
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
1-(aminomethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65045216
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
CID 115308496
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dimethylbutanamide
CID 113283692
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]piperidin-1-amine
CID 83011314
N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
CID 83010917

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine (CID 83011943) is N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine is CC1CCCCC1(CN)NN1CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine?
The InChIKey is IQKOSKBYNIOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-7-3-4-8-13(12,11-14)15-16-9-5-2-6-10-16/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine is sourced from PubChem (CID 83011943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).