3-chloro-N-ethylbutan-1-amine

C6H14ClN — CID 65024849

IUPAC3-chloro-N-ethylbutan-1-amine
SMILESCCNCCC(C)Cl
InChIInChI=1S/C6H14ClN/c1-3-8-5-4-6(2)7/h6,8H,3-5H2,1-2H3
InChIKeyFIURGHHGNUXAEB-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.61
Rot. Bonds4

About 3-chloro-N-ethylbutan-1-amine

3-chloro-N-ethylbutan-1-amine (PubChem CID 65024849) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 3-chloro-N-ethylbutan-1-amine.

Molecular Properties

Compound Name3-chloro-N-ethylbutan-1-amine
PubChem CID65024849
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name3-chloro-N-ethylbutan-1-amine
SMILESCCNCCC(C)Cl
InChIInChI=1S/C6H14ClN/c1-3-8-5-4-6(2)7/h6,8H,3-5H2,1-2H3
InChIKeyFIURGHHGNUXAEB-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethylbutan-1-amine?
The IUPAC name of 3-chloro-N-ethylbutan-1-amine (CID 65024849) is 3-chloro-N-ethylbutan-1-amine.
What is the SMILES notation for 3-chloro-N-ethylbutan-1-amine?
The canonical SMILES for 3-chloro-N-ethylbutan-1-amine is CCNCCC(C)Cl.
What is the InChIKey of 3-chloro-N-ethylbutan-1-amine?
The InChIKey is FIURGHHGNUXAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN/c1-3-8-5-4-6(2)7/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-chloro-N-ethylbutan-1-amine?
3-chloro-N-ethylbutan-1-amine has a molecular weight of 135.64 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethylbutan-1-amine is sourced from PubChem (CID 65024849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).