2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine

C8H15ClN2 — CID 131248662

IUPAC2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine
SMILESNCCC1CN(C/C=C/Cl)C1
InChIInChI=1S/C8H15ClN2/c9-3-1-5-11-6-8(7-11)2-4-10/h1,3,8H,2,4-7,10H2/b3-1+
InChIKeyYJUFRHUZYGWBQE-HNQUOIGGSA-N
MW174.67 g/mol
LogP1.02
Rot. Bonds4

About 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine

2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine (PubChem CID 131248662) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine
PubChem CID131248662
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine
SMILESNCCC1CN(C/C=C/Cl)C1
InChIInChI=1S/C8H15ClN2/c9-3-1-5-11-6-8(7-11)2-4-10/h1,3,8H,2,4-7,10H2/b3-1+
InChIKeyYJUFRHUZYGWBQE-HNQUOIGGSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine
CID 131248661
[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
CID 115648536
2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
CID 84656475
(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
CID 131231907
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
CID 107900967
2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid
CID 116684092
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
1-[(E)-3-chloroprop-2-enyl]-4,4-dimethylpyrrolidin-3-ol
CID 131235029
1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
CID 65448653
1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
CID 114511079

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine (CID 131248662) is 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine is NCCC1CN(C/C=C/Cl)C1.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine?
The InChIKey is YJUFRHUZYGWBQE-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H15ClN2/c9-3-1-5-11-6-8(7-11)2-4-10/h1,3,8H,2,4-7,10H2/b3-1+.
What are the key properties of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine?
2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine has a molecular weight of 174.67 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine is sourced from PubChem (CID 131248662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).