2-chloro-2-methylbutan-1-amine

C5H12ClN — CID 90913506

IUPAC2-chloro-2-methylbutan-1-amine
SMILESCCC(C)(Cl)CN
InChIInChI=1S/C5H12ClN/c1-3-5(2,6)4-7/h3-4,7H2,1-2H3
InChIKeyJFZWZQIHOOAZLU-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.35
Rot. Bonds2

About 2-chloro-2-methylbutan-1-amine

2-chloro-2-methylbutan-1-amine (PubChem CID 90913506) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 2-chloro-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-chloro-2-methylbutan-1-amine
PubChem CID90913506
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name2-chloro-2-methylbutan-1-amine
SMILESCCC(C)(Cl)CN
InChIInChI=1S/C5H12ClN/c1-3-5(2,6)4-7/h3-4,7H2,1-2H3
InChIKeyJFZWZQIHOOAZLU-UHFFFAOYSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.35
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

2-Chloro-2-methylbutan-1-amine hydrochloride
CID 146155358
2-Chloro-2-methylpropan-1-amine
CID 19773518
3-Chloro-3-methylbutan-2-amine
CID 21279632
3-Chloro-3-methylbutan-1-amine;hydrochloride
CID 87167100
2-Chloro-3,3-difluoro-2-methylbutan-1-amine
CID 177801747
(3-Chloro-3-methylbutyl)azanium chloride
CID 10986508
3-Chloro-3-methylbutan-1-amine
CID 10986509
2-Chloro-2-ethylbutan-1-amine;hydrochloride
CID 20147070
2-Chloro-2-ethylbutan-1-amine
CID 20147071
2-Chloro-3-methylbutan-1-amine
CID 55289972
2,4-Dichloro-2-methylbutan-1-amine;hydrochloride
CID 87356561
2,4-Dichloro-2-methylbutan-1-amine
CID 87356562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylbutan-1-amine?
The IUPAC name of 2-chloro-2-methylbutan-1-amine (CID 90913506) is 2-chloro-2-methylbutan-1-amine.
What is the SMILES notation for 2-chloro-2-methylbutan-1-amine?
The canonical SMILES for 2-chloro-2-methylbutan-1-amine is CCC(C)(Cl)CN.
What is the InChIKey of 2-chloro-2-methylbutan-1-amine?
The InChIKey is JFZWZQIHOOAZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN/c1-3-5(2,6)4-7/h3-4,7H2,1-2H3.
What are the key properties of 2-chloro-2-methylbutan-1-amine?
2-chloro-2-methylbutan-1-amine has a molecular weight of 121.61 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylbutan-1-amine is sourced from PubChem (CID 90913506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).