1-chloropropane;N-ethylethanamine

C7H18ClN — CID 18002271

IUPAC1-chloropropane;N-ethylethanamine
SMILESCCCCl.CCNCC
InChIInChI=1S/C4H11N.C3H7Cl/c1-3-5-4-2;1-2-3-4/h5H,3-4H2,1-2H3;2-3H2,1H3
InChIKeyJQJSTSPGSDJQKS-UHFFFAOYSA-N
MW151.68 g/mol
LogP2.25
Rot. Bonds3

About 1-chloropropane;N-ethylethanamine

1-chloropropane;N-ethylethanamine (PubChem CID 18002271) has the molecular formula C7H18ClN and a molecular weight of 151.68 g/mol. Its IUPAC name is 1-chloropropane;N-ethylethanamine.

Molecular Properties

Compound Name1-chloropropane;N-ethylethanamine
PubChem CID18002271
Molecular FormulaC7H18ClN
Molecular Weight151.68 g/mol
Exact Mass151.11
IUPAC Name1-chloropropane;N-ethylethanamine
SMILESCCCCl.CCNCC
InChIInChI=1S/C4H11N.C3H7Cl/c1-3-5-4-2;1-2-3-4/h5H,3-4H2,1-2H3;2-3H2,1H3
InChIKeyJQJSTSPGSDJQKS-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.68
LogP ≤ 52.25
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
3-Chloro-N-(2-chloroethyl)-N-ethylpropan-1-amine--hydrogen chloride (1/1)
CID 49440
1-Propanamine, 2-chloro-N-(3-chloropropyl)-, hydrochloride (1:1)
CID 3060543
Ethanamine, 2-chloro-N-ethyl-
CID 20648
Butyl(3-chloropropyl)amine hydrochloride
CID 13122243
Bis(3-chloropropyl)amine
CID 421086
3-chloro-N-propan-2-ylpropan-1-amine
CID 12385320
N-tert-Butyl-3-chloropropan-1-amine
CID 13052581
3-Chlorodiethylamine
CID 20394610
3-Chloro-N-propyl-1-propanamine
CID 22245838
3-(Ethyl-2-chloro-ethyl)amino propylamine
CID 121280577

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;N-ethylethanamine?
The IUPAC name of 1-chloropropane;N-ethylethanamine (CID 18002271) is 1-chloropropane;N-ethylethanamine.
What is the SMILES notation for 1-chloropropane;N-ethylethanamine?
The canonical SMILES for 1-chloropropane;N-ethylethanamine is CCCCl.CCNCC.
What is the InChIKey of 1-chloropropane;N-ethylethanamine?
The InChIKey is JQJSTSPGSDJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H7Cl/c1-3-5-4-2;1-2-3-4/h5H,3-4H2,1-2H3;2-3H2,1H3.
What are the key properties of 1-chloropropane;N-ethylethanamine?
1-chloropropane;N-ethylethanamine has a molecular weight of 151.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;N-ethylethanamine is sourced from PubChem (CID 18002271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).