1-chloro-N-ethyl-N-methylbutan-2-amine

C7H16ClN — CID 130629325

IUPAC1-chloro-N-ethyl-N-methylbutan-2-amine
SMILESCCC(CCl)N(C)CC
InChIInChI=1S/C7H16ClN/c1-4-7(6-8)9(3)5-2/h7H,4-6H2,1-3H3
InChIKeyRWMLTGLBAWPLCK-UHFFFAOYSA-N
MW149.67 g/mol
LogP1.96
Rot. Bonds4

About 1-chloro-N-ethyl-N-methylbutan-2-amine

1-chloro-N-ethyl-N-methylbutan-2-amine (PubChem CID 130629325) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is 1-chloro-N-ethyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-chloro-N-ethyl-N-methylbutan-2-amine
PubChem CID130629325
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC Name1-chloro-N-ethyl-N-methylbutan-2-amine
SMILESCCC(CCl)N(C)CC
InChIInChI=1S/C7H16ClN/c1-4-7(6-8)9(3)5-2/h7H,4-6H2,1-3H3
InChIKeyRWMLTGLBAWPLCK-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
N-ethyl-N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 142940994
6-chloro-N,N,5-trimethylhexan-3-amine
CID 88740860
4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 123736635
1-chloro-N,N-dimethylpentan-3-amine
CID 116907512
2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
CID 114495374
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130
ethyl N-(1-chlorobutan-2-yl)-N-methylcarbamate
CID 54188517
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-ethyl-N-methylbutan-2-amine?
The IUPAC name of 1-chloro-N-ethyl-N-methylbutan-2-amine (CID 130629325) is 1-chloro-N-ethyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-chloro-N-ethyl-N-methylbutan-2-amine?
The canonical SMILES for 1-chloro-N-ethyl-N-methylbutan-2-amine is CCC(CCl)N(C)CC.
What is the InChIKey of 1-chloro-N-ethyl-N-methylbutan-2-amine?
The InChIKey is RWMLTGLBAWPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-4-7(6-8)9(3)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N-ethyl-N-methylbutan-2-amine?
1-chloro-N-ethyl-N-methylbutan-2-amine has a molecular weight of 149.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-N-methylbutan-2-amine is sourced from PubChem (CID 130629325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).