3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine

C12H26N2 — CID 67095749

IUPAC3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
SMILESNCCCC1CCCCC1CCCN
InChIInChI=1S/C12H26N2/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14/h11-12H,1-10,13-14H2
InChIKeyZRAFGHJDOQOGSP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds6

About 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine

3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine (PubChem CID 67095749) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
PubChem CID67095749
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
SMILESNCCCC1CCCCC1CCCN
InChIInChI=1S/C12H26N2/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14/h11-12H,1-10,13-14H2
InChIKeyZRAFGHJDOQOGSP-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine (CID 67095749) is 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine is NCCCC1CCCCC1CCCN.
What is the InChIKey of 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine?
The InChIKey is ZRAFGHJDOQOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14/h11-12H,1-10,13-14H2.
What are the key properties of 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine?
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 67095749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).