N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine

C15H26N2 — CID 115206213

IUPACN-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCC(C)c1ccc(NCCNC(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-13(4)14-6-8-15(9-7-14)17-11-10-16-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyFYSQENXIEVARJX-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.61
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine

N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206213) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206213
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCC(C)c1ccc(NCCNC(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-13(4)14-6-8-15(9-7-14)17-11-10-16-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyFYSQENXIEVARJX-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-N-[(3,5-difluorophenyl)methyl]aniline
CID 106528332
4-butan-2-yl-N-methylaniline
CID 22675641
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078
N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809763
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
4-[(4-butan-2-ylanilino)methyl]-2-fluorophenol
CID 107685413
4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
CID 43681046
4-butan-2-yl-N-[(4-chlorophenyl)methyl]aniline
CID 43230048
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
1-butan-2-yl-4-fluorobenzene
CID 11829648
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 115206213) is N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine is CCC(C)c1ccc(NCCNC(C)C)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FYSQENXIEVARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(4)14-6-8-15(9-7-14)17-11-10-16-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).