1-(aminomethyl)cyclohexane-1-carbonyl chloride

C8H14ClNO — CID 142629542

IUPAC1-(aminomethyl)cyclohexane-1-carbonyl chloride
SMILESNCC1(C(=O)Cl)CCCCC1
InChIInChI=1S/C8H14ClNO/c9-7(11)8(6-10)4-2-1-3-5-8/h1-6,10H2
InChIKeyYBDJKJQOEIQODU-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.66
Rot. Bonds2

About 1-(aminomethyl)cyclohexane-1-carbonyl chloride

1-(aminomethyl)cyclohexane-1-carbonyl chloride (PubChem CID 142629542) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-(aminomethyl)cyclohexane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(aminomethyl)cyclohexane-1-carbonyl chloride
PubChem CID142629542
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name1-(aminomethyl)cyclohexane-1-carbonyl chloride
SMILESNCC1(C(=O)Cl)CCCCC1
InChIInChI=1S/C8H14ClNO/c9-7(11)8(6-10)4-2-1-3-5-8/h1-6,10H2
InChIKeyYBDJKJQOEIQODU-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)cyclohexane-1-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)cyclopentane-1-carbonyl chloride
CID 45081354
1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
CID 115444211
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide
CID 62923934
2-[[1-(aminomethyl)cycloheptanecarbonyl]-(carboxymethyl)amino]acetic acid
CID 115444111
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436637

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclohexane-1-carbonyl chloride?
The IUPAC name of 1-(aminomethyl)cyclohexane-1-carbonyl chloride (CID 142629542) is 1-(aminomethyl)cyclohexane-1-carbonyl chloride.
What is the SMILES notation for 1-(aminomethyl)cyclohexane-1-carbonyl chloride?
The canonical SMILES for 1-(aminomethyl)cyclohexane-1-carbonyl chloride is NCC1(C(=O)Cl)CCCCC1.
What is the InChIKey of 1-(aminomethyl)cyclohexane-1-carbonyl chloride?
The InChIKey is YBDJKJQOEIQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-7(11)8(6-10)4-2-1-3-5-8/h1-6,10H2.
What are the key properties of 1-(aminomethyl)cyclohexane-1-carbonyl chloride?
1-(aminomethyl)cyclohexane-1-carbonyl chloride has a molecular weight of 175.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclohexane-1-carbonyl chloride is sourced from PubChem (CID 142629542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).