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

C8H18N2 — CID 11116168

IUPAC4-(aminomethyl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(CN)CC1
InChIInChI=1S/C8H18N2/c1-8(10)4-2-7(6-9)3-5-8/h7H,2-6,9-10H2,1H3
InChIKeyXPOGLCBPDGXAAC-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds1

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

4-(aminomethyl)-1-methylcyclohexan-1-amine (PubChem CID 11116168) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methylcyclohexan-1-amine
PubChem CID11116168
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-(aminomethyl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(CN)CC1
InChIInChI=1S/C8H18N2/c1-8(10)4-2-7(6-9)3-5-8/h7H,2-6,9-10H2,1H3
InChIKeyXPOGLCBPDGXAAC-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 4-(aminomethyl)-1-methylcyclohexan-1-amine?
The IUPAC name of 4-(aminomethyl)-1-methylcyclohexan-1-amine (CID 11116168) is 4-(aminomethyl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(aminomethyl)-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-(aminomethyl)-1-methylcyclohexan-1-amine is CC1(N)CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methylcyclohexan-1-amine?
The InChIKey is XPOGLCBPDGXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(10)4-2-7(6-9)3-5-8/h7H,2-6,9-10H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methylcyclohexan-1-amine?
4-(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 4-(aminomethyl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 11116168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).