N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine

C15H26N2 — CID 115202717

IUPACN-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
SMILESCc1ccc(C)c(CCNCC(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-4-5-14(3)15(10-12)7-9-17-11-13(2)6-8-16/h4-5,10,13,17H,6-9,11,16H2,1-3H3
InChIKeyZOGZNTMKNCRHLK-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine

N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine (PubChem CID 115202717) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
PubChem CID115202717
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
SMILESCc1ccc(C)c(CCNCC(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-4-5-14(3)15(10-12)7-9-17-11-13(2)6-8-16/h4-5,10,13,17H,6-9,11,16H2,1-3H3
InChIKeyZOGZNTMKNCRHLK-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
N'-[2-(5-bromo-2-methylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198789
2-[[2-(2,5-dimethylphenyl)ethylamino]methyl]-3-methylbutanenitrile
CID 115254611
2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
CID 115202803
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
5-(2,5-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 65304462

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine (CID 115202717) is N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine is Cc1ccc(C)c(CCNCC(C)CCN)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine?
The InChIKey is ZOGZNTMKNCRHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-4-5-14(3)15(10-12)7-9-17-11-13(2)6-8-16/h4-5,10,13,17H,6-9,11,16H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine?
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115202717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).