(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine

C21H38N2 — CID 154973455

IUPAC(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine
SMILES[H]/N=C/CCC(C=C(C)C)N(C)C(C)C(C)CC/C=C\C=C/CC
InChIInChI=1S/C21H38N2/c1-7-8-9-10-11-12-14-19(4)20(5)23(6)21(15-13-16-22)17-18(2)3/h8-11,16-17,19-22H,7,12-15H2,1-6H3/b9-8-,11-10-,22-16+
InChIKeyLBFZMLOELADVGB-IOYQIHNBSA-N
MW318.55 g/mol
LogP6.01
Rot. Bonds12

About (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine

(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine (PubChem CID 154973455) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine.

Molecular Properties

Compound Name(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine
PubChem CID154973455
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine
SMILES[H]/N=C/CCC(C=C(C)C)N(C)C(C)C(C)CC/C=C\C=C/CC
InChIInChI=1S/C21H38N2/c1-7-8-9-10-11-12-14-19(4)20(5)23(6)21(15-13-16-22)17-18(2)3/h8-11,16-17,19-22H,7,12-15H2,1-6H3/b9-8-,11-10-,22-16+
InChIKeyLBFZMLOELADVGB-IOYQIHNBSA-N
XLogP6.01
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.01
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine?
The IUPAC name of (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine (CID 154973455) is (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine.
What is the SMILES notation for (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine?
The canonical SMILES for (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine is [H]/N=C/CCC(C=C(C)C)N(C)C(C)C(C)CC/C=C\C=C/CC.
What is the InChIKey of (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine?
The InChIKey is LBFZMLOELADVGB-IOYQIHNBSA-N. The full InChI is InChI=1S/C21H38N2/c1-7-8-9-10-11-12-14-19(4)20(5)23(6)21(15-13-16-22)17-18(2)3/h8-11,16-17,19-22H,7,12-15H2,1-6H3/b9-8-,11-10-,22-16+.
What are the key properties of (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine?
(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine has a molecular weight of 318.55 g/mol, XLogP of 6.01, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine is sourced from PubChem (CID 154973455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).