3-chloro-N-methyl-N-prop-2-enylpropan-1-amine

C7H14ClN — CID 94252089

IUPAC3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C)CCCCl
InChIInChI=1S/C7H14ClN/c1-3-6-9(2)7-4-5-8/h3H,1,4-7H2,2H3
InChIKeyFLJIQGMKLMQUCP-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.73
Rot. Bonds5

About 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine

3-chloro-N-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 94252089) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
PubChem CID94252089
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCN(C)CCCCl
InChIInChI=1S/C7H14ClN/c1-3-6-9(2)7-4-5-8/h3H,1,4-7H2,2H3
InChIKeyFLJIQGMKLMQUCP-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine 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-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 122164038
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N'-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 21122644
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
(Z)-N-methyl-N-prop-2-enylnonadec-10-en-1-amine
CID 174909012
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 131234785
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
2-[methyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]ethanethioic S-acid
CID 87472659
3-[3-chloropropyl(methyl)amino]propyl-trimethylazanium chloride
CID 23347575

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine (CID 94252089) is 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine is C=CCN(C)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is FLJIQGMKLMQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-3-6-9(2)7-4-5-8/h3H,1,4-7H2,2H3.
What are the key properties of 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine?
3-chloro-N-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 147.65 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 94252089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).