(Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine

C6H12ClN — CID 5352317

IUPAC(Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNC/C(C)=C\Cl
InChIInChI=1S/C6H12ClN/c1-3-8-5-6(2)4-7/h4,8H,3,5H2,1-2H3/b6-4-
InChIKeyQTIDSXIXLKYRNP-XQRVVYSFSA-N
MW133.62 g/mol
LogP1.74
Rot. Bonds3

About (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine

(Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 5352317) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID5352317
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name(Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNC/C(C)=C\Cl
InChIInChI=1S/C6H12ClN/c1-3-8-5-6(2)4-7/h4,8H,3,5H2,1-2H3/b6-4-
InChIKeyQTIDSXIXLKYRNP-XQRVVYSFSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine (CID 5352317) is (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine is CCNC/C(C)=C\Cl.
What is the InChIKey of (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is QTIDSXIXLKYRNP-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H12ClN/c1-3-8-5-6(2)4-7/h4,8H,3,5H2,1-2H3/b6-4-.
What are the key properties of (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine?
(Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 133.62 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 5352317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).