(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine

C17H26N2 — CID 126659367

IUPAC(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine
SMILESC/C=C(\C)C(C)C(C)N(C)/C=C\Nc1ccccc1
InChIInChI=1S/C17H26N2/c1-6-14(2)15(3)16(4)19(5)13-12-18-17-10-8-7-9-11-17/h6-13,15-16,18H,1-5H3/b13-12-,14-6+
InChIKeyKPIFCSHALWNJJE-IBWGPUADSA-N
MW258.41 g/mol
LogP4.49
Rot. Bonds6

About (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine

(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine (PubChem CID 126659367) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine
PubChem CID126659367
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine
SMILESC/C=C(\C)C(C)C(C)N(C)/C=C\Nc1ccccc1
InChIInChI=1S/C17H26N2/c1-6-14(2)15(3)16(4)19(5)13-12-18-17-10-8-7-9-11-17/h6-13,15-16,18H,1-5H3/b13-12-,14-6+
InChIKeyKPIFCSHALWNJJE-IBWGPUADSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine?
The IUPAC name of (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine (CID 126659367) is (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine is C/C=C(\C)C(C)C(C)N(C)/C=C\Nc1ccccc1.
What is the InChIKey of (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine?
The InChIKey is KPIFCSHALWNJJE-IBWGPUADSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-14(2)15(3)16(4)19(5)13-12-18-17-10-8-7-9-11-17/h6-13,15-16,18H,1-5H3/b13-12-,14-6+.
What are the key properties of (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine?
(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine is sourced from PubChem (CID 126659367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).