1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine

C10H22BrN — CID 15416

IUPAC1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine
SMILESCC(C)C(CBr)N(C)C(C)(C)C
InChIInChI=1S/C10H22BrN/c1-8(2)9(7-11)12(6)10(3,4)5/h8-9H,7H2,1-6H3
InChIKeyLSJHFSCXGCSQKK-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.14
Rot. Bonds3

About 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine

1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine (PubChem CID 15416) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine
PubChem CID15416
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC Name1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine
SMILESCC(C)C(CBr)N(C)C(C)(C)C
InChIInChI=1S/C10H22BrN/c1-8(2)9(7-11)12(6)10(3,4)5/h8-9H,7H2,1-6H3
InChIKeyLSJHFSCXGCSQKK-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.14
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-tert-butyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 18340921
3-(bromomethyl)-2,2,4-trimethylpentane
CID 83142537
2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine
CID 63964791
3-(bromomethyl)-2,2,4,5-tetramethylhexane
CID 165443368
1-N,1-N,2-N,2-N-tetrakis[2-(dimethylamino)-3-methylbutyl]-3,3-dimethylbutane-1,2-diamine
CID 157480421
1-N-tert-butyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 63965886
(4S,5S)-4-[tert-butyl(methyl)amino]-2,5-dimethylheptan-3-one
CID 177276642
N,2-dimethyl-N-(2-methylpentan-3-yl)pentan-3-amine
CID 134315332
4-(bromomethyl)-2,3,4-trimethylhexane
CID 131230810
1-bromo-4-methoxy-2,4-dimethylpentane
CID 66468850
(2R)-2-(dimethylamino)-3-methylbutan-1-ol
CID 93492101
5-bromo-2,2,3-trimethylhexane
CID 64719255

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine (CID 15416) is 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine is CC(C)C(CBr)N(C)C(C)(C)C.
What is the InChIKey of 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine?
The InChIKey is LSJHFSCXGCSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-8(2)9(7-11)12(6)10(3,4)5/h8-9H,7H2,1-6H3.
What are the key properties of 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine?
1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine has a molecular weight of 236.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-tert-butyl-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 15416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).