N-(2-chloroethyl)prop-1-en-1-amine

C5H10ClN — CID 176897576

IUPACN-(2-chloroethyl)prop-1-en-1-amine
SMILESCC=CNCCCl
InChIInChI=1S/C5H10ClN/c1-2-4-7-5-3-6/h2,4,7H,3,5H2,1H3
InChIKeyUUCZDLRMVKETDD-UHFFFAOYSA-N
MW119.59 g/mol
LogP1.35
Rot. Bonds3

About N-(2-chloroethyl)prop-1-en-1-amine

N-(2-chloroethyl)prop-1-en-1-amine (PubChem CID 176897576) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is N-(2-chloroethyl)prop-1-en-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)prop-1-en-1-amine
PubChem CID176897576
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC NameN-(2-chloroethyl)prop-1-en-1-amine
SMILESCC=CNCCCl
InChIInChI=1S/C5H10ClN/c1-2-4-7-5-3-6/h2,4,7H,3,5H2,1H3
InChIKeyUUCZDLRMVKETDD-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302
3-[[(Z)-prop-1-enyl]amino]propanal
CID 143480247
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
N-[(E)-prop-1-enyl]but-3-en-1-amine
CID 143057399
N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
2-[2-(prop-1-enylamino)ethoxy]ethanol
CID 154242626
ethane;N-methyl-N'-[(Z)-prop-1-enyl]methanediamine
CID 143466587
N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine
CID 144808694
2-(prop-1-enylamino)acetaldehyde
CID 173097369
(E)-4-oxo-4-[2-[[(E)-prop-1-enyl]amino]ethylamino]but-2-enoic acid
CID 101277231
3-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142828314

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)prop-1-en-1-amine?
The IUPAC name of N-(2-chloroethyl)prop-1-en-1-amine (CID 176897576) is N-(2-chloroethyl)prop-1-en-1-amine.
What is the SMILES notation for N-(2-chloroethyl)prop-1-en-1-amine?
The canonical SMILES for N-(2-chloroethyl)prop-1-en-1-amine is CC=CNCCCl.
What is the InChIKey of N-(2-chloroethyl)prop-1-en-1-amine?
The InChIKey is UUCZDLRMVKETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN/c1-2-4-7-5-3-6/h2,4,7H,3,5H2,1H3.
What are the key properties of N-(2-chloroethyl)prop-1-en-1-amine?
N-(2-chloroethyl)prop-1-en-1-amine has a molecular weight of 119.59 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)prop-1-en-1-amine is sourced from PubChem (CID 176897576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).