1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide

C24H34BrN3 — CID 10433573

IUPAC1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide
SMILESBr.[H]N=C1N(c2ccc(C(C)CC)cc2)CCCN1c1ccc(C(C)CC)cc1
InChIInChI=1S/C24H33N3.BrH/c1-5-18(3)20-8-12-22(13-9-20)26-16-7-17-27(24(26)25)23-14-10-21(11-15-23)19(4)6-2;/h8-15,18-19,25H,5-7,16-17H2,1-4H3;1H
InChIKeyTZVSKNORFVSVPD-UHFFFAOYSA-N
MW444.46 g/mol
LogP6.94
Rot. Bonds6

About 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide

1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide (PubChem CID 10433573) has the molecular formula C24H34BrN3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide.

Molecular Properties

Compound Name1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide
PubChem CID10433573
Molecular FormulaC24H34BrN3
Molecular Weight444.46 g/mol
Exact Mass443.19
IUPAC Name1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide
SMILESBr.[H]N=C1N(c2ccc(C(C)CC)cc2)CCCN1c1ccc(C(C)CC)cc1
InChIInChI=1S/C24H33N3.BrH/c1-5-18(3)20-8-12-22(13-9-20)26-16-7-17-27(24(26)25)23-14-10-21(11-15-23)19(4)6-2;/h8-15,18-19,25H,5-7,16-17H2,1-4H3;1H
InChIKeyTZVSKNORFVSVPD-UHFFFAOYSA-N
XLogP6.94
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide 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

N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
CID 10526122
N,N'-Bis-(4-isopropyl-phenyl)-guanidine
CID 13781937
1,3-Bis-(4-sec-butyl-phenyl)-tetrahydro-pyrimidin-2-ylideneamine; hydrobromide
CID 10433574
2-(4-tert-butylphenyl)-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide;hydrochloride
CID 45261270
N,N'-Bis(4-sec-butylphenyl)-N,N'-bis-methyl guanidine.HCl
CID 45261438
1-Benzyl-1-(1-pentan-2-ylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 126711334
Guanidine, 1-benzyl-1-phenyl-, hydrochloride
CID 9459
4-benzyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 1298394
6-Phenyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 2794241
1-(1-Benzylpiperidin-4-yl)-3-(4-butan-2-ylphenyl)thiourea
CID 2957625
1-(4-Decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10383732
N-(3-Ethyl-phenyl)-4-phenyl-piperidine-1-carboxamidine
CID 10447949

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide?
The IUPAC name of 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide (CID 10433573) is 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide.
What is the SMILES notation for 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide?
The canonical SMILES for 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide is Br.[H]N=C1N(c2ccc(C(C)CC)cc2)CCCN1c1ccc(C(C)CC)cc1.
What is the InChIKey of 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide?
The InChIKey is TZVSKNORFVSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3.BrH/c1-5-18(3)20-8-12-22(13-9-20)26-16-7-17-27(24(26)25)23-14-10-21(11-15-23)19(4)6-2;/h8-15,18-19,25H,5-7,16-17H2,1-4H3;1H.
What are the key properties of 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide?
1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide has a molecular weight of 444.46 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-butan-2-ylphenyl)-1,3-diazinan-2-imine;hydrobromide is sourced from PubChem (CID 10433573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).