2-(chloromethyl)-N,N-dimethylbutan-1-amine

C7H16ClN — CID 55303593

IUPAC2-(chloromethyl)-N,N-dimethylbutan-1-amine
SMILESCCC(CCl)CN(C)C
InChIInChI=1S/C7H16ClN/c1-4-7(5-8)6-9(2)3/h7H,4-6H2,1-3H3
InChIKeySLONSEVGLIREAA-UHFFFAOYSA-N
MW149.67 g/mol
LogP1.81
Rot. Bonds4

About 2-(chloromethyl)-N,N-dimethylbutan-1-amine

2-(chloromethyl)-N,N-dimethylbutan-1-amine (PubChem CID 55303593) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is 2-(chloromethyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N,N-dimethylbutan-1-amine
PubChem CID55303593
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC Name2-(chloromethyl)-N,N-dimethylbutan-1-amine
SMILESCCC(CCl)CN(C)C
InChIInChI=1S/C7H16ClN/c1-4-7(5-8)6-9(2)3/h7H,4-6H2,1-3H3
InChIKeySLONSEVGLIREAA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
bis(1-chloro-3-(dimethylamino)propan-2-ol);propane;dihydrochloride
CID 173321209
2-ethyl-N'-ethynyl-N,N-dimethylbutane-1,4-diamine
CID 156812983
2-ethyl-N',N',4-trimethylpentane-1,5-diamine
CID 170202582
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311
N,N-dimethyl-2-octyldodecan-1-amine
CID 21291112
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 2-(chloromethyl)-N,N-dimethylbutan-1-amine (CID 55303593) is 2-(chloromethyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N,N-dimethylbutan-1-amine is CCC(CCl)CN(C)C.
What is the InChIKey of 2-(chloromethyl)-N,N-dimethylbutan-1-amine?
The InChIKey is SLONSEVGLIREAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-4-7(5-8)6-9(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N,N-dimethylbutan-1-amine?
2-(chloromethyl)-N,N-dimethylbutan-1-amine has a molecular weight of 149.67 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 55303593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).