(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine

C22H34N4 — CID 143294261

IUPAC(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C(=C\C(C1=C(C)C=CCC=C1)=C(/C)N(C)C)N1CCCN(C)CC1
InChIInChI=1S/C22H34N4/c1-18-11-8-7-9-12-20(18)21(19(2)24(4)5)17-22(23-3)26-14-10-13-25(6)15-16-26/h8-9,11-12,17H,3,7,10,13-16H2,1-2,4-6H3/b21-19-,22-17+
InChIKeyCMJQWUQHVCMOHT-BHOZXSGLSA-N
MW354.54 g/mol
LogP3.83
Rot. Bonds5

About (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine

(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine (PubChem CID 143294261) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine
PubChem CID143294261
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C(=C\C(C1=C(C)C=CCC=C1)=C(/C)N(C)C)N1CCCN(C)CC1
InChIInChI=1S/C22H34N4/c1-18-11-8-7-9-12-20(18)21(19(2)24(4)5)17-22(23-3)26-14-10-13-25(6)15-16-26/h8-9,11-12,17H,3,7,10,13-16H2,1-2,4-6H3/b21-19-,22-17+
InChIKeyCMJQWUQHVCMOHT-BHOZXSGLSA-N
XLogP3.83
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine
CID 123166780

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine (CID 143294261) is (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine is C=N/C(=C\C(C1=C(C)C=CCC=C1)=C(/C)N(C)C)N1CCCN(C)CC1.
What is the InChIKey of (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine?
The InChIKey is CMJQWUQHVCMOHT-BHOZXSGLSA-N. The full InChI is InChI=1S/C22H34N4/c1-18-11-8-7-9-12-20(18)21(19(2)24(4)5)17-22(23-3)26-14-10-13-25(6)15-16-26/h8-9,11-12,17H,3,7,10,13-16H2,1-2,4-6H3/b21-19-,22-17+.
What are the key properties of (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine?
(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine has a molecular weight of 354.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine is sourced from PubChem (CID 143294261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).