(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine

C19H28ClN — CID 142119521

IUPAC(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine
SMILESC=CN(C)C(/C(=C\CC)CC)C(C)c1ccc(Cl)cc1C
InChIInChI=1S/C19H28ClN/c1-7-10-16(8-2)19(21(6)9-3)15(5)18-12-11-17(20)13-14(18)4/h9-13,15,19H,3,7-8H2,1-2,4-6H3/b16-10-
InChIKeySEUQSNADOFPPIA-YBEGLDIGSA-N
MW305.89 g/mol
LogP5.94
Rot. Bonds7

About (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine

(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine (PubChem CID 142119521) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine.

Molecular Properties

Compound Name(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine
PubChem CID142119521
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC Name(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine
SMILESC=CN(C)C(/C(=C\CC)CC)C(C)c1ccc(Cl)cc1C
InChIInChI=1S/C19H28ClN/c1-7-10-16(8-2)19(21(6)9-3)15(5)18-12-11-17(20)13-14(18)4/h9-13,15,19H,3,7-8H2,1-2,4-6H3/b16-10-
InChIKeySEUQSNADOFPPIA-YBEGLDIGSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine?
The IUPAC name of (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine (CID 142119521) is (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine.
What is the SMILES notation for (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine?
The canonical SMILES for (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine is C=CN(C)C(/C(=C\CC)CC)C(C)c1ccc(Cl)cc1C.
What is the InChIKey of (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine?
The InChIKey is SEUQSNADOFPPIA-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H28ClN/c1-7-10-16(8-2)19(21(6)9-3)15(5)18-12-11-17(20)13-14(18)4/h9-13,15,19H,3,7-8H2,1-2,4-6H3/b16-10-.
What are the key properties of (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine?
(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine has a molecular weight of 305.89 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine is sourced from PubChem (CID 142119521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).