(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine

C23H41N3 — CID 134270603

IUPAC(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
SMILESCCC(C)CC/C1=N/C/C=C\C(=C\CC(C)/C=C\CCNC)CC(C)N1
InChIInChI=1S/C23H41N3/c1-6-19(2)13-15-23-25-17-9-11-22(18-21(4)26-23)14-12-20(3)10-7-8-16-24-5/h7,9-11,14,19-21,24H,6,8,12-13,15-18H2,1-5H3,(H,25,26)/b10-7-,11-9-,22-14-
InChIKeyMZLAZSMIWCJSQA-ZNQSVBKPSA-N
MW359.60 g/mol
LogP5.27
Rot. Bonds10

About (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine

(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine (PubChem CID 134270603) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine.

Molecular Properties

Compound Name(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
PubChem CID134270603
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC Name(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
SMILESCCC(C)CC/C1=N/C/C=C\C(=C\CC(C)/C=C\CCNC)CC(C)N1
InChIInChI=1S/C23H41N3/c1-6-19(2)13-15-23-25-17-9-11-22(18-21(4)26-23)14-12-20(3)10-7-8-16-24-5/h7,9-11,14,19-21,24H,6,8,12-13,15-18H2,1-5H3,(H,25,26)/b10-7-,11-9-,22-14-
InChIKeyMZLAZSMIWCJSQA-ZNQSVBKPSA-N
XLogP5.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine?
The IUPAC name of (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine (CID 134270603) is (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine.
What is the SMILES notation for (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine?
The canonical SMILES for (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine is CCC(C)CC/C1=N/C/C=C\C(=C\CC(C)/C=C\CCNC)CC(C)N1.
What is the InChIKey of (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine?
The InChIKey is MZLAZSMIWCJSQA-ZNQSVBKPSA-N. The full InChI is InChI=1S/C23H41N3/c1-6-19(2)13-15-23-25-17-9-11-22(18-21(4)26-23)14-12-20(3)10-7-8-16-24-5/h7,9-11,14,19-21,24H,6,8,12-13,15-18H2,1-5H3,(H,25,26)/b10-7-,11-9-,22-14-.
What are the key properties of (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine?
(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine has a molecular weight of 359.60 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine is sourced from PubChem (CID 134270603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).