(4-aminocyclohexyl)azanium chloride

C6H15ClN2 — CID 139194803

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 (4-aminocyclohexyl)azanium chloride

(4-aminocyclohexyl)azanium 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(4-aminocyclohexyl)azanium chloride
PubChem CID139194803
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Name(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
XLogP-3.50
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 5-3.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium
CID 146710523
(5-aminocyclooctyl)azanium
CID 153193766
cyclopropylazanium dichloride
CID 173255049
[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium
CID 163544073
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
(1,2,3-13C3)cyclopropanamine
CID 76972988
cyclopropanamine;hydrochloride;hydrofluoride
CID 174873111
cyclohexane-1,4-diamine;ethane-1,2-diamine
CID 70127275
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
CID 172990620
aminoazanium;cyclohexylazanium
CID 21317022
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)azanium chloride?
The IUPAC name of (4-aminocyclohexyl)azanium chloride (CID 139194803) is (4-aminocyclohexyl)azanium chloride.
What is the SMILES notation for (4-aminocyclohexyl)azanium chloride?
The canonical SMILES for (4-aminocyclohexyl)azanium chloride is N[C@H]1CC[C@@H]([NH3+])CC1.[Cl-].
What is the InChIKey of (4-aminocyclohexyl)azanium 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 (4-aminocyclohexyl)azanium chloride?
(4-aminocyclohexyl)azanium 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 (4-aminocyclohexyl)azanium chloride is sourced from PubChem (CID 139194803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).