N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine

C9H17BrN2 — CID 66214310

IUPACN-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
SMILESC=C(Br)CN(CCC)C1CNC1
InChIInChI=1S/C9H17BrN2/c1-3-4-12(7-8(2)10)9-5-11-6-9/h9,11H,2-7H2,1H3
InChIKeyHXJFCBWVOQPYAV-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.58
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine

N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine (PubChem CID 66214310) has the molecular formula C9H17BrN2 and a molecular weight of 233.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
PubChem CID66214310
Molecular FormulaC9H17BrN2
Molecular Weight233.15 g/mol
Exact Mass232.06
IUPAC NameN-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
SMILESC=C(Br)CN(CCC)C1CNC1
InChIInChI=1S/C9H17BrN2/c1-3-4-12(7-8(2)10)9-5-11-6-9/h9,11H,2-7H2,1H3
InChIKeyHXJFCBWVOQPYAV-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 66214520
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 66216113
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
N-but-3-ynyl-N-propylazetidin-3-amine
CID 66214886
2-[azetidin-3-yl(propyl)amino]-N-cyclohexyl-N-propan-2-ylacetamide
CID 66215693
2-[azetidin-3-yl(propyl)amino]-N-(tert-butylcarbamoyl)acetamide
CID 66216311

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine (CID 66214310) is N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine is C=C(Br)CN(CCC)C1CNC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine?
The InChIKey is HXJFCBWVOQPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2/c1-3-4-12(7-8(2)10)9-5-11-6-9/h9,11H,2-7H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine?
N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine has a molecular weight of 233.15 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine is sourced from PubChem (CID 66214310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).