2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine

C15H26N2 — CID 62569514

IUPAC2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
SMILESCCC(C)N(CC)C(C)CNc1ccccc1
InChIInChI=1S/C15H26N2/c1-5-13(3)17(6-2)14(4)12-16-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3
InChIKeyGVDJPBCOOZSOLZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.61
Rot. Bonds7

About 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine (PubChem CID 62569514) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
PubChem CID62569514
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
SMILESCCC(C)N(CC)C(C)CNc1ccccc1
InChIInChI=1S/C15H26N2/c1-5-13(3)17(6-2)14(4)12-16-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3
InChIKeyGVDJPBCOOZSOLZ-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
CID 67748631
2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
CID 62568173
1-anilino-2-methylpentan-3-ol
CID 69294698
N-(2-bromopropyl)aniline
CID 13183607
N'-butan-2-yl-N,N'-diphenylmethanediamine
CID 150607535
2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
N-(2-methylsulfonylpropyl)aniline
CID 104519124
2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 81068786
N-(2-methylsulfanylpropyl)aniline
CID 62582287
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
N-[(2R)-2-(methylsulfanylmethyl)butyl]aniline
CID 100920930
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine (CID 62569514) is 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine is CCC(C)N(CC)C(C)CNc1ccccc1.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is GVDJPBCOOZSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(3)17(6-2)14(4)12-16-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 62569514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).