1-chloropropane;N-methylethanamine

C6H16ClN — CID 87473380

IUPAC1-chloropropane;N-methylethanamine
SMILESCCCCl.CCNC
InChIInChI=1S/C3H7Cl.C3H9N/c1-2-3-4;1-3-4-2/h2-3H2,1H3;4H,3H2,1-2H3
InChIKeyQWLQOPKFTCAWFK-UHFFFAOYSA-N
MW137.65 g/mol
LogP1.86
Rot. Bonds2

About 1-chloropropane;N-methylethanamine

1-chloropropane;N-methylethanamine (PubChem CID 87473380) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is 1-chloropropane;N-methylethanamine.

Molecular Properties

Compound Name1-chloropropane;N-methylethanamine
PubChem CID87473380
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Name1-chloropropane;N-methylethanamine
SMILESCCCCl.CCNC
InChIInChI=1S/C3H7Cl.C3H9N/c1-2-3-4;1-3-4-2/h2-3H2,1H3;4H,3H2,1-2H3
InChIKeyQWLQOPKFTCAWFK-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-Chloropropyl)(methyl)amine hydrochloride
CID 22107021
3-chloro-N-methylpropan-1-amine
CID 541874
Butyl(3-chloropropyl)amine hydrochloride
CID 13122243
3-Chlorodiethylamine
CID 20394610
3-Chloroethyldi-methylamine
CID 20476583
3-Chloro-N-propyl-1-propanamine
CID 22245838
(1R)-1-chloro-2-fluoro-N-methylpropan-1-amine
CID 173853070
3-Chloropropyl(dimethyl)azanium
CID 4433367
3-Chloropropyl(dimethyl)azanium chloride
CID 11105619
3-Chloropropyl(diethyl)azanium
CID 6994487
Butyl(3-chloropropyl)amine
CID 10909733
4-chloro-N-methylbutan-1-amine
CID 11147703

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;N-methylethanamine?
The IUPAC name of 1-chloropropane;N-methylethanamine (CID 87473380) is 1-chloropropane;N-methylethanamine.
What is the SMILES notation for 1-chloropropane;N-methylethanamine?
The canonical SMILES for 1-chloropropane;N-methylethanamine is CCCCl.CCNC.
What is the InChIKey of 1-chloropropane;N-methylethanamine?
The InChIKey is QWLQOPKFTCAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl.C3H9N/c1-2-3-4;1-3-4-2/h2-3H2,1H3;4H,3H2,1-2H3.
What are the key properties of 1-chloropropane;N-methylethanamine?
1-chloropropane;N-methylethanamine has a molecular weight of 137.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;N-methylethanamine is sourced from PubChem (CID 87473380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).