(3-methylcyclohexyl)methanamine

C8H17N — CID 18361468

IUPAC(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(CN)C1
InChIInChI=1S/C8H17N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6,9H2,1H3
InChIKeyAVBFYDXLBKBKNT-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds1

About (3-methylcyclohexyl)methanamine

(3-methylcyclohexyl)methanamine (PubChem CID 18361468) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-methylcyclohexyl)methanamine
PubChem CID18361468
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(CN)C1
InChIInChI=1S/C8H17N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6,9H2,1H3
InChIKeyAVBFYDXLBKBKNT-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methylcyclononyl)methanamine
CID 91548607
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
(3,3,4,8-tetramethylcyclononyl)methanamine
CID 129058588
[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837602
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)methanamine?
The IUPAC name of (3-methylcyclohexyl)methanamine (CID 18361468) is (3-methylcyclohexyl)methanamine.
What is the SMILES notation for (3-methylcyclohexyl)methanamine?
The canonical SMILES for (3-methylcyclohexyl)methanamine is CC1CCCC(CN)C1.
What is the InChIKey of (3-methylcyclohexyl)methanamine?
The InChIKey is AVBFYDXLBKBKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7-3-2-4-8(5-7)6-9/h7-8H,2-6,9H2,1H3.
What are the key properties of (3-methylcyclohexyl)methanamine?
(3-methylcyclohexyl)methanamine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)methanamine is sourced from PubChem (CID 18361468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).