3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine

C9H20BrN — CID 65000340

IUPAC3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)CC(C)(C)CBr
InChIInChI=1S/C9H20BrN/c1-8(2)11(5)7-9(3,4)6-10/h8H,6-7H2,1-5H3
InChIKeyNAJYABHVLJLPDI-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.75
Rot. Bonds4

About 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine

3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 65000340) has the molecular formula C9H20BrN and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
PubChem CID65000340
Molecular FormulaC9H20BrN
Molecular Weight222.17 g/mol
Exact Mass221.08
IUPAC Name3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)CC(C)(C)CBr
InChIInChI=1S/C9H20BrN/c1-8(2)11(5)7-9(3,4)6-10/h8H,6-7H2,1-5H3
InChIKeyNAJYABHVLJLPDI-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.75
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

N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
3-bromo-N,2,2-trimethyl-N-(3-methylbutyl)propan-1-amine
CID 64999998
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 81062792
N,2,2-trimethyl-N-propan-2-yl-3-[4-(2,2,4,4-tetramethylpentyl)cyclohexyl]propan-1-amine
CID 153404295
1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 66455555
N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine
CID 166770577
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
CID 65000482
(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
CID 176932878

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine (CID 65000340) is 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine is CC(C)N(C)CC(C)(C)CBr.
What is the InChIKey of 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is NAJYABHVLJLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrN/c1-8(2)11(5)7-9(3,4)6-10/h8H,6-7H2,1-5H3.
What are the key properties of 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine?
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 222.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65000340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).