(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine

C7H12ClN — CID 131234785

IUPAC(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(C)C/C=C/Cl
InChIInChI=1S/C7H12ClN/c1-3-6-9(2)7-4-5-8/h3-5H,1,6-7H2,2H3/b5-4+
InChIKeyDLHMKKBZVXQMMS-SNAWJCMRSA-N
MW145.63 g/mol
LogP1.86
Rot. Bonds4

About (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine

(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 131234785) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
PubChem CID131234785
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(C)C/C=C/Cl
InChIInChI=1S/C7H12ClN/c1-3-6-9(2)7-4-5-8/h3-5H,1,6-7H2,2H3/b5-4+
InChIKeyDLHMKKBZVXQMMS-SNAWJCMRSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.86
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

N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 54198139
N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
CID 173211748
3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 174389413
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
CID 76940071
2-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylpropan-1-amine
CID 107901100
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 122164038
3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
CID 94252089
(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine
CID 131248446

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine (CID 131234785) is (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine is C=CCN(C)C/C=C/Cl.
What is the InChIKey of (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is DLHMKKBZVXQMMS-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12ClN/c1-3-6-9(2)7-4-5-8/h3-5H,1,6-7H2,2H3/b5-4+.
What are the key properties of (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine?
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 145.63 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 131234785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).