1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine

C20H26N2 — CID 170967473

IUPAC1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine
SMILESC=C(Nc1ccc(NC(C)C)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H26N2/c1-14(2)17-6-8-18(9-7-17)16(5)22-20-12-10-19(11-13-20)21-15(3)4/h6-15,21-22H,5H2,1-4H3
InChIKeyZZUALFWOQLDVCT-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.71
Rot. Bonds6

About 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine

1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine (PubChem CID 170967473) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine
PubChem CID170967473
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine
SMILESC=C(Nc1ccc(NC(C)C)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H26N2/c1-14(2)17-6-8-18(9-7-17)16(5)22-20-12-10-19(11-13-20)21-15(3)4/h6-15,21-22H,5H2,1-4H3
InChIKeyZZUALFWOQLDVCT-UHFFFAOYSA-N
XLogP5.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
CID 174838160
4-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)aniline
CID 174168371
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592
N-propan-2-yl-2-(4-propan-2-ylanilino)propanamide
CID 43084814
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
N-[4-(1-acetamidoethenyl)phenyl]acetamide
CID 102524968
O-methyl N-(4-propan-2-ylphenyl)carbamothioate
CID 2803934

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine (CID 170967473) is 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine is C=C(Nc1ccc(NC(C)C)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine?
The InChIKey is ZZUALFWOQLDVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-14(2)17-6-8-18(9-7-17)16(5)22-20-12-10-19(11-13-20)21-15(3)4/h6-15,21-22H,5H2,1-4H3.
What are the key properties of 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine?
1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine has a molecular weight of 294.44 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine is sourced from PubChem (CID 170967473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).