[3,4-bis(aminomethyl)cyclohexyl]methanamine

C9H21N3 — CID 19770057

IUPAC[3,4-bis(aminomethyl)cyclohexyl]methanamine
SMILESNCC1CCC(CN)C(CN)C1
InChIInChI=1S/C9H21N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h7-9H,1-6,10-12H2
InChIKeyZGPMAGXAVSVWGW-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.10
Rot. Bonds3

About [3,4-bis(aminomethyl)cyclohexyl]methanamine

[3,4-bis(aminomethyl)cyclohexyl]methanamine (PubChem CID 19770057) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is [3,4-bis(aminomethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3,4-bis(aminomethyl)cyclohexyl]methanamine
PubChem CID19770057
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name[3,4-bis(aminomethyl)cyclohexyl]methanamine
SMILESNCC1CCC(CN)C(CN)C1
InChIInChI=1S/C9H21N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h7-9H,1-6,10-12H2
InChIKeyZGPMAGXAVSVWGW-UHFFFAOYSA-N
XLogP-0.10
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(aminomethyl)cyclohexyl]methanamine?
The IUPAC name of [3,4-bis(aminomethyl)cyclohexyl]methanamine (CID 19770057) is [3,4-bis(aminomethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3,4-bis(aminomethyl)cyclohexyl]methanamine?
The canonical SMILES for [3,4-bis(aminomethyl)cyclohexyl]methanamine is NCC1CCC(CN)C(CN)C1.
What is the InChIKey of [3,4-bis(aminomethyl)cyclohexyl]methanamine?
The InChIKey is ZGPMAGXAVSVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h7-9H,1-6,10-12H2.
What are the key properties of [3,4-bis(aminomethyl)cyclohexyl]methanamine?
[3,4-bis(aminomethyl)cyclohexyl]methanamine has a molecular weight of 171.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(aminomethyl)cyclohexyl]methanamine is sourced from PubChem (CID 19770057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).