N-(2-chloroethenyl)propan-2-amine

C5H10ClN — CID 150487123

IUPACN-(2-chloroethenyl)propan-2-amine
SMILESCC(C)NC=CCl
InChIInChI=1S/C5H10ClN/c1-5(2)7-4-3-6/h3-5,7H,1-2H3
InChIKeyHVAKYIKMTWJHAH-UHFFFAOYSA-N
MW119.59 g/mol
LogP1.69
Rot. Bonds2

About N-(2-chloroethenyl)propan-2-amine

N-(2-chloroethenyl)propan-2-amine (PubChem CID 150487123) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is N-(2-chloroethenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethenyl)propan-2-amine
PubChem CID150487123
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC NameN-(2-chloroethenyl)propan-2-amine
SMILESCC(C)NC=CCl
InChIInChI=1S/C5H10ClN/c1-5(2)7-4-3-6/h3-5,7H,1-2H3
InChIKeyHVAKYIKMTWJHAH-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethenyl)propan-2-amine?
The IUPAC name of N-(2-chloroethenyl)propan-2-amine (CID 150487123) is N-(2-chloroethenyl)propan-2-amine.
What is the SMILES notation for N-(2-chloroethenyl)propan-2-amine?
The canonical SMILES for N-(2-chloroethenyl)propan-2-amine is CC(C)NC=CCl.
What is the InChIKey of N-(2-chloroethenyl)propan-2-amine?
The InChIKey is HVAKYIKMTWJHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN/c1-5(2)7-4-3-6/h3-5,7H,1-2H3.
What are the key properties of N-(2-chloroethenyl)propan-2-amine?
N-(2-chloroethenyl)propan-2-amine has a molecular weight of 119.59 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethenyl)propan-2-amine is sourced from PubChem (CID 150487123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).