N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine

C10H20BrN — CID 107901221

IUPACN-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CCC(C)Br
InChIInChI=1S/C10H20BrN/c1-9(2)5-7-12(4)8-6-10(3)11/h5,10H,6-8H2,1-4H3
InChIKeyZYBGMPPMQVCMKK-UHFFFAOYSA-N
MW234.18 g/mol
LogP3.06
Rot. Bonds5

About N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine

N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 107901221) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID107901221
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC NameN-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CCC(C)Br
InChIInChI=1S/C10H20BrN/c1-9(2)5-7-12(4)8-6-10(3)11/h5,10H,6-8H2,1-4H3
InChIKeyZYBGMPPMQVCMKK-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
CID 107900993
N-(1-chloropropan-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 107901189
2-methyl-4-[methyl(propyl)amino]but-2-enoic acid
CID 77076306
4-[2-hydroxyethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075072
4-[2-(dimethylamino)ethyl-methylamino]-2-methylbut-2-enoic acid
CID 77074049
3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
CID 103413177
N-[3-bromobutyl(methyl)amino]-N-(propan-2-ylideneamino)butan-1-amine
CID 146474508
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
2-methyl-4-[methyl(2-methylbutyl)amino]but-2-enoic acid
CID 77074395
2-(6-methylhept-5-en-2-yloxy)ethanol
CID 13214227
2-methyl-2-[methyl(3-methylbut-2-enyl)amino]propan-1-ol
CID 115638245
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine (CID 107901221) is N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine is CC(C)=CCN(C)CCC(C)Br.
What is the InChIKey of N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is ZYBGMPPMQVCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-9(2)5-7-12(4)8-6-10(3)11/h5,10H,6-8H2,1-4H3.
What are the key properties of N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine?
N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 234.18 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 107901221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).