3-(aminomethyl)-1-methylcyclohexan-1-amine

C8H18N2 — CID 11804870

IUPAC3-(aminomethyl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCCC(CN)C1
InChIInChI=1S/C8H18N2/c1-8(10)4-2-3-7(5-8)6-9/h7H,2-6,9-10H2,1H3
InChIKeyBJMIFHFMTGLMBX-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds1

About 3-(aminomethyl)-1-methylcyclohexan-1-amine

3-(aminomethyl)-1-methylcyclohexan-1-amine (PubChem CID 11804870) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-methylcyclohexan-1-amine
PubChem CID11804870
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-(aminomethyl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCCC(CN)C1
InChIInChI=1S/C8H18N2/c1-8(10)4-2-3-7(5-8)6-9/h7H,2-6,9-10H2,1H3
InChIKeyBJMIFHFMTGLMBX-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5,5-dimethylcyclononyl)methanamine
CID 129138997
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
hexanediamide;1-methylcyclohexane-1,3-diamine
CID 118657914
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
(2,2-dimethyloxan-4-yl)methanamine
CID 13202183
cyclohexylmethanamine;methanol
CID 70430105
1,4-dimethylcycloheptan-1-amine
CID 65080006
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734
(1R,2R,3R,3'R,4S)-3'-(aminomethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439997

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methylcyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-1-methylcyclohexan-1-amine (CID 11804870) is 3-(aminomethyl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-1-methylcyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-1-methylcyclohexan-1-amine is CC1(N)CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-1-methylcyclohexan-1-amine?
The InChIKey is BJMIFHFMTGLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(10)4-2-3-7(5-8)6-9/h7H,2-6,9-10H2,1H3.
What are the key properties of 3-(aminomethyl)-1-methylcyclohexan-1-amine?
3-(aminomethyl)-1-methylcyclohexan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 11804870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).