4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine

C24H37N3 — CID 10981440

IUPAC4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
SMILESCC(C)CC(C)Nc1ccc(Nc2ccc(NC(C)CC(C)C)cc2)cc1
InChIInChI=1S/C24H37N3/c1-17(2)15-19(5)25-21-7-11-23(12-8-21)27-24-13-9-22(10-14-24)26-20(6)16-18(3)4/h7-14,17-20,25-27H,15-16H2,1-6H3
InChIKeyXVIYOTCRTMXQFK-UHFFFAOYSA-N
MW367.58 g/mol
LogP7.12
Rot. Bonds10

About 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine

4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine (PubChem CID 10981440) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
PubChem CID10981440
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
SMILESCC(C)CC(C)Nc1ccc(Nc2ccc(NC(C)CC(C)C)cc2)cc1
InChIInChI=1S/C24H37N3/c1-17(2)15-19(5)25-21-7-11-23(12-8-21)27-24-13-9-22(10-14-24)26-20(6)16-18(3)4/h7-14,17-20,25-27H,15-16H2,1-6H3
InChIKeyXVIYOTCRTMXQFK-UHFFFAOYSA-N
XLogP7.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methylpentan-2-yl)-1-N-[4-[4-[4-(4-methylpentan-2-ylamino)anilino]-N-propan-2-ylanilino]phenyl]benzene-1,4-diamine
CID 170570875
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
1-N-(4-methylpentan-2-yl)-4-N-[4-(4-methylpentan-2-ylamino)phenyl]-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 178132403
4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine;octadecanoic acid
CID 158324844
1-methyl-3-[4-(4-methylpentan-2-ylamino)phenyl]urea
CID 43744400
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
CID 97358406
2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
CID 95479757

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine (CID 10981440) is 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine is CC(C)CC(C)Nc1ccc(Nc2ccc(NC(C)CC(C)C)cc2)cc1.
What is the InChIKey of 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine?
The InChIKey is XVIYOTCRTMXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3/c1-17(2)15-19(5)25-21-7-11-23(12-8-21)27-24-13-9-22(10-14-24)26-20(6)16-18(3)4/h7-14,17-20,25-27H,15-16H2,1-6H3.
What are the key properties of 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine?
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine has a molecular weight of 367.58 g/mol, XLogP of 7.12, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 10981440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).