N'-(3,4-dimethylphenyl)butane-1,4-diamine

C12H20N2 — CID 94253623

IUPACN'-(3,4-dimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(NCCCCN)cc1C
InChIInChI=1S/C12H20N2/c1-10-5-6-12(9-11(10)2)14-8-4-3-7-13/h5-6,9,14H,3-4,7-8,13H2,1-2H3
InChIKeyFDDZFMPERZKXJM-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.45
Rot. Bonds5

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

N'-(3,4-dimethylphenyl)butane-1,4-diamine (PubChem CID 94253623) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)butane-1,4-diamine
PubChem CID94253623
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-(3,4-dimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(NCCCCN)cc1C
InChIInChI=1S/C12H20N2/c1-10-5-6-12(9-11(10)2)14-8-4-3-7-13/h5-6,9,14H,3-4,7-8,13H2,1-2H3
InChIKeyFDDZFMPERZKXJM-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.45
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

N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
N-heptyl-3,4-dimethylaniline
CID 43129292
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
N-[4-(4-chlorophenoxy)butyl]-3,4-dimethylaniline
CID 82095955
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)butane-1,4-diamine?
The IUPAC name of N'-(3,4-dimethylphenyl)butane-1,4-diamine (CID 94253623) is N'-(3,4-dimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3,4-dimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(3,4-dimethylphenyl)butane-1,4-diamine is Cc1ccc(NCCCCN)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)butane-1,4-diamine?
The InChIKey is FDDZFMPERZKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-5-6-12(9-11(10)2)14-8-4-3-7-13/h5-6,9,14H,3-4,7-8,13H2,1-2H3.
What are the key properties of N'-(3,4-dimethylphenyl)butane-1,4-diamine?
N'-(3,4-dimethylphenyl)butane-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 94253623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).