1-chloro-N-(cyclopropylmethyl)ethanamine

C6H12ClN — CID 129153429

IUPAC1-chloro-N-(cyclopropylmethyl)ethanamine
SMILESCC(Cl)NCC1CC1
InChIInChI=1S/C6H12ClN/c1-5(7)8-4-6-2-3-6/h5-6,8H,2-4H2,1H3
InChIKeyDFPCOXDYGSBYOD-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.57
Rot. Bonds3

About 1-chloro-N-(cyclopropylmethyl)ethanamine

1-chloro-N-(cyclopropylmethyl)ethanamine (PubChem CID 129153429) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 1-chloro-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name1-chloro-N-(cyclopropylmethyl)ethanamine
PubChem CID129153429
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name1-chloro-N-(cyclopropylmethyl)ethanamine
SMILESCC(Cl)NCC1CC1
InChIInChI=1S/C6H12ClN/c1-5(7)8-4-6-2-3-6/h5-6,8H,2-4H2,1H3
InChIKeyDFPCOXDYGSBYOD-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-N-(cyclopropylmethyl)ethanamine 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

N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
3-chloro-N-(cyclopropylmethyl)butan-1-amine
CID 65025281
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
CID 166665711
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
2-(cyclopropylmethylamino)butanenitrile
CID 60996082
N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
CID 130481299
(2S)-N-(cyclobutylmethyl)-3-methylbutan-2-amine
CID 93279768
1-N'-(cyclobutylmethyl)ethane-1,1-diamine
CID 173135813
N-(cyclobutylmethyl)-1-iodoethanamine
CID 135131971

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 1-chloro-N-(cyclopropylmethyl)ethanamine (CID 129153429) is 1-chloro-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 1-chloro-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 1-chloro-N-(cyclopropylmethyl)ethanamine is CC(Cl)NCC1CC1.
What is the InChIKey of 1-chloro-N-(cyclopropylmethyl)ethanamine?
The InChIKey is DFPCOXDYGSBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN/c1-5(7)8-4-6-2-3-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-chloro-N-(cyclopropylmethyl)ethanamine?
1-chloro-N-(cyclopropylmethyl)ethanamine has a molecular weight of 133.62 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 129153429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).