(3-aminocyclohexyl)-trimethylazanium;hydrochloride

C9H22ClN2+ — CID 174647176

IUPAC(3-aminocyclohexyl)-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)C1CCCC(N)C1.Cl
InChIInChI=1S/C9H21N2.ClH/c1-11(2,3)9-6-4-5-8(10)7-9;/h8-9H,4-7,10H2,1-3H3;1H/q+1;
InChIKeyNMWYEWFVPUBQDW-UHFFFAOYSA-N
MW193.74 g/mol
LogP1.38
Rot. Bonds1

About (3-aminocyclohexyl)-trimethylazanium;hydrochloride

(3-aminocyclohexyl)-trimethylazanium;hydrochloride (PubChem CID 174647176) has the molecular formula C9H22ClN2+ and a molecular weight of 193.74 g/mol. Its IUPAC name is (3-aminocyclohexyl)-trimethylazanium;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-trimethylazanium;hydrochloride
PubChem CID174647176
Molecular FormulaC9H22ClN2+
Molecular Weight193.74 g/mol
Exact Mass193.15
IUPAC Name(3-aminocyclohexyl)-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)C1CCCC(N)C1.Cl
InChIInChI=1S/C9H21N2.ClH/c1-11(2,3)9-6-4-5-8(10)7-9;/h8-9H,4-7,10H2,1-3H3;1H/q+1;
InChIKeyNMWYEWFVPUBQDW-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methylcyclohexan-1-amine
CID 55284906
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
3-methylsulfanylcyclohexan-1-amine
CID 54594178
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
ethane;3-ethylcyclohexan-1-amine
CID 164855900
trans-(1S,3S)-3-fluorocyclohexan-1-amine
CID 86333917
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
cis-(1R,3S)-3-fluorocyclohexan-1-amine
CID 86333919
3-cycloheptylcyclohexan-1-amine
CID 82924474
cis-(1S,3R)-3-aminocycloheptan-1-ol;dihydrochloride
CID 175054137
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-trimethylazanium;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-trimethylazanium;hydrochloride (CID 174647176) is (3-aminocyclohexyl)-trimethylazanium;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-trimethylazanium;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-trimethylazanium;hydrochloride is C[N+](C)(C)C1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-trimethylazanium;hydrochloride?
The InChIKey is NMWYEWFVPUBQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2.ClH/c1-11(2,3)9-6-4-5-8(10)7-9;/h8-9H,4-7,10H2,1-3H3;1H/q+1;.
What are the key properties of (3-aminocyclohexyl)-trimethylazanium;hydrochloride?
(3-aminocyclohexyl)-trimethylazanium;hydrochloride has a molecular weight of 193.74 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-trimethylazanium;hydrochloride is sourced from PubChem (CID 174647176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).