[3-(aminomethyl)cyclohexyl]methanamine

C8H18N2 — CID 17406

IUPAC[3-(aminomethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(CN)C1
InChIInChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
InChIKeyQLBRROYTTDFLDX-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.71
Rot. Bonds2

About [3-(aminomethyl)cyclohexyl]methanamine

[3-(aminomethyl)cyclohexyl]methanamine (PubChem CID 17406) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]methanamine
PubChem CID17406
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name[3-(aminomethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(CN)C1
InChIInChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
InChIKeyQLBRROYTTDFLDX-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]methanamine?
The IUPAC name of [3-(aminomethyl)cyclohexyl]methanamine (CID 17406) is [3-(aminomethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]methanamine is NCC1CCCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]methanamine?
The InChIKey is QLBRROYTTDFLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2.
What are the key properties of [3-(aminomethyl)cyclohexyl]methanamine?
[3-(aminomethyl)cyclohexyl]methanamine has a molecular weight of 142.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]methanamine is sourced from PubChem (CID 17406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).