3-[1-(aminomethyl)cyclohexyl]propan-1-amine

C10H22N2 — CID 19426416

IUPAC3-[1-(aminomethyl)cyclohexyl]propan-1-amine
SMILESNCCCC1(CN)CCCCC1
InChIInChI=1S/C10H22N2/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-9,11-12H2
InChIKeyOJPYUYXQCOPTNF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.63
Rot. Bonds4

About 3-[1-(aminomethyl)cyclohexyl]propan-1-amine

3-[1-(aminomethyl)cyclohexyl]propan-1-amine (PubChem CID 19426416) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclohexyl]propan-1-amine
PubChem CID19426416
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-[1-(aminomethyl)cyclohexyl]propan-1-amine
SMILESNCCCC1(CN)CCCCC1
InChIInChI=1S/C10H22N2/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-9,11-12H2
InChIKeyOJPYUYXQCOPTNF-UHFFFAOYSA-N
XLogP1.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-[1-(aminomethyl)cyclohexyl]propan-1-amine (CID 19426416) is 3-[1-(aminomethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-[1-(aminomethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-[1-(aminomethyl)cyclohexyl]propan-1-amine is NCCCC1(CN)CCCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclohexyl]propan-1-amine?
The InChIKey is OJPYUYXQCOPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-9,11-12H2.
What are the key properties of 3-[1-(aminomethyl)cyclohexyl]propan-1-amine?
3-[1-(aminomethyl)cyclohexyl]propan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 19426416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).