1-ammonio-2-amine-cyclohexane chloride

Name: 1-ammonio-2-amine-cyclohexane chloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₁₅ClN₂ — CID 139194803

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(4-aminocyclohexyl)azanium chloride

SMILESN[C@H]1CC[C@@H]([NH3+])CC1.[Cl-]

InChIInChI=1S/C6H14N2.ClH/c7-5-1-2-6(8)4-3-5;/h5-6H,1-4,7-8H2;1H/t5-,6+;

InChIKeyFAGAAPPIBHREAK-KNCHESJLSA-N

MW150.65 g/mol

LogP-3.50

Rot. Bonds

About 1-ammonio-2-amine-cyclohexane chloride

1-ammonio-2-amine-cyclohexane chloride (PubChem CID 139194803) has the molecular formula C₆H₁₅ClN₂ and a molecular weight of 150.65 g/mol. Its IUPAC name is (4-aminocyclohexyl)azanium chloride.

Molecular Properties

Compound Name	1-ammonio-2-amine-cyclohexane chloride
PubChem CID	139194803
Molecular Formula	C₆H₁₅ClN₂
Molecular Weight	150.65 g/mol
Exact Mass	150.09
IUPAC Name	(4-aminocyclohexyl)azanium chloride
SMILES	N[C@H]1CC[C@@H]([NH3+])CC1.[Cl-]
InChI	InChI=1S/C6H14N2.ClH/c7-5-1-2-6(8)4-3-5;/h5-6H,1-4,7-8H2;1H/t5-,6+;
InChIKey	FAGAAPPIBHREAK-KNCHESJLSA-N
XLogP	-3.50
TPSA	53.66 Å²
H-Bond Donors	2
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	9
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	150.65
LogP ≤ 5	-3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-ammonio-2-amine-cyclohexane chloride?

The IUPAC name of 1-ammonio-2-amine-cyclohexane chloride (CID 139194803) is (4-aminocyclohexyl)azanium chloride.

What is the SMILES notation for 1-ammonio-2-amine-cyclohexane chloride?

The canonical SMILES for 1-ammonio-2-amine-cyclohexane chloride is N[C@H]1CC[C@@H]([NH3+])CC1.[Cl-].

What is the InChIKey of 1-ammonio-2-amine-cyclohexane chloride?

The InChIKey is FAGAAPPIBHREAK-KNCHESJLSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c7-5-1-2-6(8)4-3-5;/h5-6H,1-4,7-8H2;1H/t5-,6+;.

What are the key properties of 1-ammonio-2-amine-cyclohexane chloride?

1-ammonio-2-amine-cyclohexane chloride has a molecular weight of 150.65 g/mol, XLogP of -3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ammonio-2-amine-cyclohexane chloride is sourced from PubChem (CID 139194803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139194803 — identifiers, structure, computed properties (public domain)

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