N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine

C24H44N6 — CID 177361517

IUPACN-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine
SMILESCC/C=C(\N=N\CCCC)N(C)C1CCN(C2N=C(C)C(CC(C)C)=C(C)N2)CC1
InChIInChI=1S/C24H44N6/c1-8-10-14-25-28-23(11-9-2)29(7)21-12-15-30(16-13-21)24-26-19(5)22(17-18(3)4)20(6)27-24/h11,18,21,24,26H,8-10,12-17H2,1-7H3/b23-11+,28-25+
InChIKeyYJTPRGAGAFVVBD-CSUSDLTISA-N
MW416.66 g/mol
LogP5.55
Rot. Bonds10

About N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine

N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine (PubChem CID 177361517) has the molecular formula C24H44N6 and a molecular weight of 416.66 g/mol. Its IUPAC name is N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine
PubChem CID177361517
Molecular FormulaC24H44N6
Molecular Weight416.66 g/mol
Exact Mass416.36
IUPAC NameN-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine
SMILESCC/C=C(\N=N\CCCC)N(C)C1CCN(C2N=C(C)C(CC(C)C)=C(C)N2)CC1
InChIInChI=1S/C24H44N6/c1-8-10-14-25-28-23(11-9-2)29(7)21-12-15-30(16-13-21)24-26-19(5)22(17-18(3)4)20(6)27-24/h11,18,21,24,26H,8-10,12-17H2,1-7H3/b23-11+,28-25+
InChIKeyYJTPRGAGAFVVBD-CSUSDLTISA-N
XLogP5.55
TPSA55.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine
CID 142583904

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine (CID 177361517) is N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine is CC/C=C(\N=N\CCCC)N(C)C1CCN(C2N=C(C)C(CC(C)C)=C(C)N2)CC1.
What is the InChIKey of N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine?
The InChIKey is YJTPRGAGAFVVBD-CSUSDLTISA-N. The full InChI is InChI=1S/C24H44N6/c1-8-10-14-25-28-23(11-9-2)29(7)21-12-15-30(16-13-21)24-26-19(5)22(17-18(3)4)20(6)27-24/h11,18,21,24,26H,8-10,12-17H2,1-7H3/b23-11+,28-25+.
What are the key properties of N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine?
N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine has a molecular weight of 416.66 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(butyldiazenyl)but-1-enyl]-1-[4,6-dimethyl-5-(2-methylpropyl)-1,2-dihydropyrimidin-2-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 177361517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).