2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine

C15H26N2 — CID 62950232

IUPAC2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)CC(C)(C)C)c1
InChIInChI=1S/C15H26N2/c1-12-7-6-8-13(9-12)17(5)14(11-16)10-15(2,3)4/h6-9,14H,10-11,16H2,1-5H3
InChIKeyTUFFVPJBEITFLI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.19
Rot. Bonds4

About 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine

2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine (PubChem CID 62950232) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
PubChem CID62950232
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)CC(C)(C)C)c1
InChIInChI=1S/C15H26N2/c1-12-7-6-8-13(9-12)17(5)14(11-16)10-15(2,3)4/h6-9,14H,10-11,16H2,1-5H3
InChIKeyTUFFVPJBEITFLI-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-fluorophenyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950234
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 66178471
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
2-N,2-N,4,4-tetramethylpentane-1,2-diamine
CID 62950039
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 103569563
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
CID 138691650
CID 138691650
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide
CID 18735669

Frequently Asked Questions

What is the IUPAC name of 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine (CID 62950232) is 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine is Cc1cccc(N(C)C(CN)CC(C)(C)C)c1.
What is the InChIKey of 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine?
The InChIKey is TUFFVPJBEITFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-7-6-8-13(9-12)17(5)14(11-16)10-15(2,3)4/h6-9,14H,10-11,16H2,1-5H3.
What are the key properties of 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine?
2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 62950232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).