(Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine

C13H17ClN2 — CID 145107789

IUPAC(Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(=N/C)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2/c1-3-4-5-12(16-2)13(15)10-6-8-11(14)9-7-10/h4-9,13H,3,15H2,1-2H3/b5-4-,16-12+
InChIKeyWPSOBPYTOYJXQR-QDWCAQTDSA-N
MW236.75 g/mol
LogP3.38
Rot. Bonds4

About (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine

(Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine (PubChem CID 145107789) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine
PubChem CID145107789
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name(Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(=N/C)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2/c1-3-4-5-12(16-2)13(15)10-6-8-11(14)9-7-10/h4-9,13H,3,15H2,1-2H3/b5-4-,16-12+
InChIKeyWPSOBPYTOYJXQR-QDWCAQTDSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine (CID 145107789) is (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine is CC/C=C\C(=N/C)C(N)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine?
The InChIKey is WPSOBPYTOYJXQR-QDWCAQTDSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-3-4-5-12(16-2)13(15)10-6-8-11(14)9-7-10/h4-9,13H,3,15H2,1-2H3/b5-4-,16-12+.
What are the key properties of (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine?
(Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 145107789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).