1-(aminomethyl)-4-methylcyclohexan-1-amine

C8H18N2 — CID 43519520

IUPAC1-(aminomethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(CN)CC1
InChIInChI=1S/C8H18N2/c1-7-2-4-8(10,6-9)5-3-7/h7H,2-6,9-10H2,1H3
InChIKeyFUZKWKMBMWTPRH-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds1

About 1-(aminomethyl)-4-methylcyclohexan-1-amine

1-(aminomethyl)-4-methylcyclohexan-1-amine (PubChem CID 43519520) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-methylcyclohexan-1-amine
PubChem CID43519520
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(aminomethyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(CN)CC1
InChIInChI=1S/C8H18N2/c1-7-2-4-8(10,6-9)5-3-7/h7H,2-6,9-10H2,1H3
InChIKeyFUZKWKMBMWTPRH-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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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-methylcyclohexan-1-amine (CID 43519520) is 1-(aminomethyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-methylcyclohexan-1-amine is CC1CCC(N)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methylcyclohexan-1-amine?
The InChIKey is FUZKWKMBMWTPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7-2-4-8(10,6-9)5-3-7/h7H,2-6,9-10H2,1H3.
What are the key properties of 1-(aminomethyl)-4-methylcyclohexan-1-amine?
1-(aminomethyl)-4-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 1-(aminomethyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43519520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).