2-chloro-N-ethylbutan-1-amine

C6H14ClN — CID 57191582

IUPAC2-chloro-N-ethylbutan-1-amine
SMILESCCNCC(Cl)CC
InChIInChI=1S/C6H14ClN/c1-3-6(7)5-8-4-2/h6,8H,3-5H2,1-2H3
InChIKeyJDUNTFFLAXSJHD-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.61
Rot. Bonds4

About 2-chloro-N-ethylbutan-1-amine

2-chloro-N-ethylbutan-1-amine (PubChem CID 57191582) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 2-chloro-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-chloro-N-ethylbutan-1-amine
PubChem CID57191582
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name2-chloro-N-ethylbutan-1-amine
SMILESCCNCC(Cl)CC
InChIInChI=1S/C6H14ClN/c1-3-6(7)5-8-4-2/h6,8H,3-5H2,1-2H3
InChIKeyJDUNTFFLAXSJHD-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
2-chloro-N-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457838
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
2-chloro-N-(4-phenylbutyl)butan-1-amine
CID 114334752
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
2-chloro-N-(2,2-difluoro-2-phenylethyl)butan-1-amine
CID 116790612
N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine
CID 107757516
3,5,7,9-tetrachloroundecane
CID 20749072
3,5,7-trichlorononane
CID 86070462
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
2-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054191
2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
CID 107155601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylbutan-1-amine?
The IUPAC name of 2-chloro-N-ethylbutan-1-amine (CID 57191582) is 2-chloro-N-ethylbutan-1-amine.
What is the SMILES notation for 2-chloro-N-ethylbutan-1-amine?
The canonical SMILES for 2-chloro-N-ethylbutan-1-amine is CCNCC(Cl)CC.
What is the InChIKey of 2-chloro-N-ethylbutan-1-amine?
The InChIKey is JDUNTFFLAXSJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN/c1-3-6(7)5-8-4-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-ethylbutan-1-amine?
2-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 2-chloro-N-ethylbutan-1-amine is sourced from PubChem (CID 57191582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).