2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine

C15H26N2 — CID 115137983

IUPAC2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
SMILESCC(C)c1ccc(N(C)C(CN)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-11(2)13-6-8-14(9-7-13)17(5)15(10-16)12(3)4/h6-9,11-12,15H,10,16H2,1-5H3
InChIKeyYKSXONMJXXZCTO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.23
Rot. Bonds5

About 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine

2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine (PubChem CID 115137983) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
PubChem CID115137983
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
SMILESCC(C)c1ccc(N(C)C(CN)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-11(2)13-6-8-14(9-7-13)17(5)15(10-16)12(3)4/h6-9,11-12,15H,10,16H2,1-5H3
InChIKeyYKSXONMJXXZCTO-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138004
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138063
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
2-ethoxy-2-(4-propan-2-ylphenyl)ethanamine
CID 66071740
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025
2-N,3-dimethyl-2-N-naphthalen-1-ylbutane-1,2-diamine
CID 115138094
4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
CID 116501559
2-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 133150282
1-propan-2-yl-1-(4-propan-2-ylphenyl)hydrazine
CID 146616359
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine (CID 115137983) is 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine is CC(C)c1ccc(N(C)C(CN)C(C)C)cc1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine?
The InChIKey is YKSXONMJXXZCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)13-6-8-14(9-7-13)17(5)15(10-16)12(3)4/h6-9,11-12,15H,10,16H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine?
2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine is sourced from PubChem (CID 115137983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).