(4-methylcyclohexyl)methanamine

C8H17N — CID 19703199

IUPAC(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CN)CC1
InChIInChI=1S/C8H17N/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6,9H2,1H3
InChIKeyZMKGMRDHYTYLDH-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds1

About (4-methylcyclohexyl)methanamine

(4-methylcyclohexyl)methanamine (PubChem CID 19703199) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)methanamine
PubChem CID19703199
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CN)CC1
InChIInChI=1S/C8H17N/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6,9H2,1H3
InChIKeyZMKGMRDHYTYLDH-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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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)methanamine?
The IUPAC name of (4-methylcyclohexyl)methanamine (CID 19703199) is (4-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-methylcyclohexyl)methanamine?
The canonical SMILES for (4-methylcyclohexyl)methanamine is CC1CCC(CN)CC1.
What is the InChIKey of (4-methylcyclohexyl)methanamine?
The InChIKey is ZMKGMRDHYTYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6,9H2,1H3.
What are the key properties of (4-methylcyclohexyl)methanamine?
(4-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 (4-methylcyclohexyl)methanamine is sourced from PubChem (CID 19703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).