3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine

C8H14ClN — CID 174389413

IUPAC3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC)CC=CCl
InChIInChI=1S/C8H14ClN/c1-3-7-10(4-2)8-5-6-9/h3,5-6H,1,4,7-8H2,2H3
InChIKeyBLXASPADUOBRPA-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.25
Rot. Bonds5

About 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine

3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 174389413) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID174389413
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC)CC=CCl
InChIInChI=1S/C8H14ClN/c1-3-7-10(4-2)8-5-6-9/h3,5-6H,1,4,7-8H2,2H3
InChIKeyBLXASPADUOBRPA-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 131234785
N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
CID 173211748
3-[3-chloroprop-2-enyl(ethyl)amino]-2-methylpropanoic acid
CID 76950809
[ethyl(prop-2-enyl)amino]methylphosphonic acid
CID 59560504
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
N,N-diethylpenta-2,4-dien-1-amine
CID 73447905
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol
CID 76932479
(Z)-N,N-diethylpent-2-en-1-amine
CID 5365213

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine (CID 174389413) is 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC)CC=CCl.
What is the InChIKey of 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is BLXASPADUOBRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN/c1-3-7-10(4-2)8-5-6-9/h3,5-6H,1,4,7-8H2,2H3.
What are the key properties of 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine?
3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 174389413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).