6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine

C20H40N2 — CID 123469783

IUPAC6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine
SMILESC=C(C)C(C)CCC(C)/N=C(\CCCC)CCCC(C)NC
InChIInChI=1S/C20H40N2/c1-8-9-12-20(13-10-11-18(5)21-7)22-19(6)15-14-17(4)16(2)3/h17-19,21H,2,8-15H2,1,3-7H3/b22-20+
InChIKeyZDIBNMLVJIMVLB-LSDHQDQOSA-N
MW308.55 g/mol
LogP5.78
Rot. Bonds13

About 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine

6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine (PubChem CID 123469783) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine.

Molecular Properties

Compound Name6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine
PubChem CID123469783
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine
SMILESC=C(C)C(C)CCC(C)/N=C(\CCCC)CCCC(C)NC
InChIInChI=1S/C20H40N2/c1-8-9-12-20(13-10-11-18(5)21-7)22-19(6)15-14-17(4)16(2)3/h17-19,21H,2,8-15H2,1,3-7H3/b22-20+
InChIKeyZDIBNMLVJIMVLB-LSDHQDQOSA-N
XLogP5.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine?
The IUPAC name of 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine (CID 123469783) is 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine.
What is the SMILES notation for 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine?
The canonical SMILES for 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine is C=C(C)C(C)CCC(C)/N=C(\CCCC)CCCC(C)NC.
What is the InChIKey of 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine?
The InChIKey is ZDIBNMLVJIMVLB-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H40N2/c1-8-9-12-20(13-10-11-18(5)21-7)22-19(6)15-14-17(4)16(2)3/h17-19,21H,2,8-15H2,1,3-7H3/b22-20+.
What are the key properties of 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine?
6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine has a molecular weight of 308.55 g/mol, XLogP of 5.78, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylhept-6-en-2-ylimino)-N-methyldecan-2-amine is sourced from PubChem (CID 123469783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).