4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine

C24H38N4 — CID 126713399

IUPAC4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
SMILESCCC(CC)Nc1ccc(NCCNc2ccc(NC(CC)CC)cc2)cc1
InChIInChI=1S/C24H38N4/c1-5-19(6-2)27-23-13-9-21(10-14-23)25-17-18-26-22-11-15-24(16-12-22)28-20(7-3)8-4/h9-16,19-20,25-28H,5-8,17-18H2,1-4H3
InChIKeyQRAXDXMBWPXABX-UHFFFAOYSA-N
MW382.60 g/mol
LogP6.41
Rot. Bonds13

About 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine

4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine (PubChem CID 126713399) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
PubChem CID126713399
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC Name4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
SMILESCCC(CC)Nc1ccc(NCCNc2ccc(NC(CC)CC)cc2)cc1
InChIInChI=1S/C24H38N4/c1-5-19(6-2)27-23-13-9-21(10-14-23)25-17-18-26-22-11-15-24(16-12-22)28-20(7-3)8-4/h9-16,19-20,25-28H,5-8,17-18H2,1-4H3
InChIKeyQRAXDXMBWPXABX-UHFFFAOYSA-N
XLogP6.41
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine with MolForge

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Related Compounds

4-(pentan-3-ylamino)phenol
CID 43742811
N-(4-nitrophenyl)-N'-pentan-3-ylethane-1,2-diamine
CID 18522688
N-pentan-3-yl-4-(triazol-2-yl)aniline
CID 43740373
N'-pentan-3-yl-N-phenylpropane-1,3-diamine
CID 115721316
3-bromo-4-fluoro-N-pentan-3-ylaniline
CID 104776153
N-(1-chlorobutan-2-yl)-4-(trifluoromethyl)aniline
CID 65030358
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
4-fluoro-N-octan-3-ylaniline
CID 150524995
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
2-N-(4-bromophenyl)butane-1,2-diamine
CID 65385757
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine (CID 126713399) is 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine is CCC(CC)Nc1ccc(NCCNc2ccc(NC(CC)CC)cc2)cc1.
What is the InChIKey of 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine?
The InChIKey is QRAXDXMBWPXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4/c1-5-19(6-2)27-23-13-9-21(10-14-23)25-17-18-26-22-11-15-24(16-12-22)28-20(7-3)8-4/h9-16,19-20,25-28H,5-8,17-18H2,1-4H3.
What are the key properties of 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine?
4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine has a molecular weight of 382.60 g/mol, XLogP of 6.41, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine is sourced from PubChem (CID 126713399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).