(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine

C7H12ClN — CID 139418219

IUPAC(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine
SMILESC=C(C/C(Cl)=C\C)NC
InChIInChI=1S/C7H12ClN/c1-4-7(8)5-6(2)9-3/h4,9H,2,5H2,1,3H3/b7-4+
InChIKeyIGYIZYIJGXMIDU-QPJJXVBHSA-N
MW145.63 g/mol
LogP2.25
Rot. Bonds3

About (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine

(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine (PubChem CID 139418219) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine
PubChem CID139418219
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine
SMILESC=C(C/C(Cl)=C\C)NC
InChIInChI=1S/C7H12ClN/c1-4-7(8)5-6(2)9-3/h4,9H,2,5H2,1,3H3/b7-4+
InChIKeyIGYIZYIJGXMIDU-QPJJXVBHSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine?
The IUPAC name of (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine (CID 139418219) is (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine.
What is the SMILES notation for (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine?
The canonical SMILES for (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine is C=C(C/C(Cl)=C\C)NC.
What is the InChIKey of (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine?
The InChIKey is IGYIZYIJGXMIDU-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-7(8)5-6(2)9-3/h4,9H,2,5H2,1,3H3/b7-4+.
What are the key properties of (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine?
(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine has a molecular weight of 145.63 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-chloro-N-methylhexa-1,4-dien-2-amine is sourced from PubChem (CID 139418219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).