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

C9H18BrN — CID 107901101

IUPACN-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CC(C)Br
InChIInChI=1S/C9H18BrN/c1-8(2)5-6-11(4)7-9(3)10/h5,9H,6-7H2,1-4H3
InChIKeyCSCOAMACPBUASU-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.67
Rot. Bonds4

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

N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 107901101) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine
PubChem CID107901101
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC NameN-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)CC(C)Br
InChIInChI=1S/C9H18BrN/c1-8(2)5-6-11(4)7-9(3)10/h5,9H,6-7H2,1-4H3
InChIKeyCSCOAMACPBUASU-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine (CID 107901101) is N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine is CC(C)=CCN(C)CC(C)Br.
What is the InChIKey of N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is CSCOAMACPBUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c1-8(2)5-6-11(4)7-9(3)10/h5,9H,6-7H2,1-4H3.
What are the key properties of N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine?
N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 220.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 107901101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).