(E)-3-chloro-N-ethylprop-1-en-1-amine

C5H10ClN — CID 143289074

IUPAC(E)-3-chloro-N-ethylprop-1-en-1-amine
SMILESCCN/C=C/CCl
InChIInChI=1S/C5H10ClN/c1-2-7-5-3-4-6/h3,5,7H,2,4H2,1H3/b5-3+
InChIKeyYSENVLATMYQARL-HWKANZROSA-N
MW119.59 g/mol
LogP1.35
Rot. Bonds3

About (E)-3-chloro-N-ethylprop-1-en-1-amine

(E)-3-chloro-N-ethylprop-1-en-1-amine (PubChem CID 143289074) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is (E)-3-chloro-N-ethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-ethylprop-1-en-1-amine
PubChem CID143289074
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Name(E)-3-chloro-N-ethylprop-1-en-1-amine
SMILESCCN/C=C/CCl
InChIInChI=1S/C5H10ClN/c1-2-7-5-3-4-6/h3,5,7H,2,4H2,1H3/b5-3+
InChIKeyYSENVLATMYQARL-HWKANZROSA-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-diethylethene-1,2-diamine
CID 15752165
2-dichlorosilyl-N-ethylethenamine
CID 154509496
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
3-butoxy-N-ethylprop-1-en-1-amine
CID 150350485
5-(ethylamino)pent-4-enoic acid;hydrochloride
CID 173253015
2-ethoxy-N-ethylethenamine
CID 58091156
[(2Z)-2-[[(Z)-3-(ethylamino)prop-2-enyl]hydrazinylidene]ethylidene]azanium
CID 172933322
3-(ethylamino)prop-2-enoic acid
CID 87091440
N'-but-1-enyl-N-ethylethane-1,2-diamine
CID 146657084
3-(ethylamino)prop-2-enamide
CID 154070095
2,2-dichloro-N-ethylethenamine;hydrochloride
CID 173449722
(1E)-N-ethyl-3-methoxybuta-1,3-dien-1-amine
CID 163990722

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-ethylprop-1-en-1-amine?
The IUPAC name of (E)-3-chloro-N-ethylprop-1-en-1-amine (CID 143289074) is (E)-3-chloro-N-ethylprop-1-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-ethylprop-1-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-ethylprop-1-en-1-amine is CCN/C=C/CCl.
What is the InChIKey of (E)-3-chloro-N-ethylprop-1-en-1-amine?
The InChIKey is YSENVLATMYQARL-HWKANZROSA-N. The full InChI is InChI=1S/C5H10ClN/c1-2-7-5-3-4-6/h3,5,7H,2,4H2,1H3/b5-3+.
What are the key properties of (E)-3-chloro-N-ethylprop-1-en-1-amine?
(E)-3-chloro-N-ethylprop-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 (E)-3-chloro-N-ethylprop-1-en-1-amine is sourced from PubChem (CID 143289074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).