N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine

C15H26N2 — CID 115204769

IUPACN'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCc1ccc(N(C)CCC(C)(C)CN)cc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(10-13(12)2)17(5)9-8-15(3,4)11-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyOSHPCZHQDZFTDB-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.11
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine

N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 115204769) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID115204769
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCc1ccc(N(C)CCC(C)(C)CN)cc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(10-13(12)2)17(5)9-8-15(3,4)11-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyOSHPCZHQDZFTDB-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-bromophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204773
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
N-(bromomethyl)-N,3,4-trimethylaniline
CID 115261662
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772652
3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol
CID 115133914
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
N,N,3,4-tetramethylaniline
CID 12595466

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine (CID 115204769) is N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine is Cc1ccc(N(C)CCC(C)(C)CN)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is OSHPCZHQDZFTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-14(10-13(12)2)17(5)9-8-15(3,4)11-16/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).