2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine

C28H38N4 — CID 129109457

IUPAC2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine
SMILESCC1=C(C2C=CC=CC2N)CC(N(C(C)NC2C=CC=CC2N)C2C=CC=CC2C)C=C1
InChIInChI=1S/C28H38N4/c1-19-16-17-22(18-24(19)23-11-5-6-12-25(23)29)32(28-15-9-4-10-20(28)2)21(3)31-27-14-8-7-13-26(27)30/h4-17,20-23,25-28,31H,18,29-30H2,1-3H3
InChIKeyVTCAZMJMBWWFIZ-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.89
Rot. Bonds6

About 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine

2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine (PubChem CID 129109457) has the molecular formula C28H38N4 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine
PubChem CID129109457
Molecular FormulaC28H38N4
Molecular Weight430.64 g/mol
Exact Mass430.31
IUPAC Name2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine
SMILESCC1=C(C2C=CC=CC2N)CC(N(C(C)NC2C=CC=CC2N)C2C=CC=CC2C)C=C1
InChIInChI=1S/C28H38N4/c1-19-16-17-22(18-24(19)23-11-5-6-12-25(23)29)32(28-15-9-4-10-20(28)2)21(3)31-27-14-8-7-13-26(27)30/h4-17,20-23,25-28,31H,18,29-30H2,1-3H3
InChIKeyVTCAZMJMBWWFIZ-UHFFFAOYSA-N
XLogP3.89
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine 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

1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine
CID 67990663
1-[3-[(Z)-4-methylhept-4-enyl]-5-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]-N-[(2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]methanamine
CID 70253915
N'-[2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohex-2-en-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-methylmethanediamine
CID 89395450
3-[[(3S)-2-cyclohexyl-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]aziridin-1-yl]-(methylamino)methyl]-4,6-dimethylcyclohex-2-en-1-amine
CID 89395476
(3Z)-1-[2-(cyclohexen-1-yl)-1,2-dihydropyridin-6-yl]-6-methyl-N-(4-methylcyclohex-3-en-1-yl)-5,6,8,9,10,10a-hexahydro-2H-1-benzazocin-7-amine
CID 89531086
N'-[[5-(cyclohexa-2,4-dien-1-ylamino)-2,3,4b,5-tetrahydrocarbazol-9-yl]methyl]-1-cyclohex-2-en-1-yl-N,N'-dimethylmethanediamine
CID 89531160
2-(piperidin-1-ylmethyl)-2,3,3a,4,9a,9b-hexahydro-1H-perimidine
CID 89643370
2-(3-Methylbutyl)-2-(2-methylpropyl)-1,3,3a,4,9a,9b-hexahydroperimidine
CID 89643674
1-N'-[(3Z)-3-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]-(6-methylcyclohexa-1,3-dien-1-yl)methylidene]penta-1,4-dien-2-yl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine
CID 130374478
4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine
CID 140901287
5-[[3,4-Bis(butan-2-ylamino)-3,5-diethylcyclohexa-1,5-dien-1-yl]methyl]-1,3-diethylcyclohexa-3,5-diene-1,2-diamine
CID 141237856
(3Z)-2-N-[[4-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-1-yl]methyl]-3-N-[(2Z,4Z)-hexa-2,4-dienyl]penta-1,3-diene-2,3,4-triamine;ethane
CID 142855679

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine (CID 129109457) is 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine is CC1=C(C2C=CC=CC2N)CC(N(C(C)NC2C=CC=CC2N)C2C=CC=CC2C)C=C1.
What is the InChIKey of 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is VTCAZMJMBWWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4/c1-19-16-17-22(18-24(19)23-11-5-6-12-25(23)29)32(28-15-9-4-10-20(28)2)21(3)31-27-14-8-7-13-26(27)30/h4-17,20-23,25-28,31H,18,29-30H2,1-3H3.
What are the key properties of 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine?
2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 430.64 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 129109457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).