2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine

C15H26N2 — CID 115137874

IUPAC2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
SMILESCCC(C)c1ccc(NC(CN)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-12(4)13-6-8-14(9-7-13)17-15(10-16)11(2)3/h6-9,11-12,15,17H,5,10,16H2,1-4H3
InChIKeyBOSMDJFPKRPNGO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.60
Rot. Bonds6

About 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine

2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine (PubChem CID 115137874) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
PubChem CID115137874
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
SMILESCCC(C)c1ccc(NC(CN)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-12(4)13-6-8-14(9-7-13)17-15(10-16)11(2)3/h6-9,11-12,15,17H,5,10,16H2,1-4H3
InChIKeyBOSMDJFPKRPNGO-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 65192390
4-butan-2-yl-N-methylaniline
CID 22675641
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
CID 115137890
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine (CID 115137874) is 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine is CCC(C)c1ccc(NC(CN)C(C)C)cc1.
What is the InChIKey of 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine?
The InChIKey is BOSMDJFPKRPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-12(4)13-6-8-14(9-7-13)17-15(10-16)11(2)3/h6-9,11-12,15,17H,5,10,16H2,1-4H3.
What are the key properties of 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine?
2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 115137874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).