3-N-(2,3-dimethylphenyl)butane-1,3-diamine

C12H20N2 — CID 117027018

IUPAC3-N-(2,3-dimethylphenyl)butane-1,3-diamine
SMILESCc1cccc(NC(C)CCN)c1C
InChIInChI=1S/C12H20N2/c1-9-5-4-6-12(11(9)3)14-10(2)7-8-13/h4-6,10,14H,7-8,13H2,1-3H3
InChIKeyTZTHUXUQIBTEER-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.45
Rot. Bonds4

About 3-N-(2,3-dimethylphenyl)butane-1,3-diamine

3-N-(2,3-dimethylphenyl)butane-1,3-diamine (PubChem CID 117027018) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)butane-1,3-diamine
PubChem CID117027018
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-N-(2,3-dimethylphenyl)butane-1,3-diamine
SMILESCc1cccc(NC(C)CCN)c1C
InChIInChI=1S/C12H20N2/c1-9-5-4-6-12(11(9)3)14-10(2)7-8-13/h4-6,10,14H,7-8,13H2,1-3H3
InChIKeyTZTHUXUQIBTEER-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

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2-methyl-N-(5-methylhexan-2-yl)aniline
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2,3-dimethyl-N-(3-methylbutyl)aniline
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3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
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3-chloro-1-(2,3-dimethylanilino)propan-1-ol
CID 70487201
3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
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(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
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2-(2,3-dimethylanilino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)butane-1,3-diamine?
The IUPAC name of 3-N-(2,3-dimethylphenyl)butane-1,3-diamine (CID 117027018) is 3-N-(2,3-dimethylphenyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)butane-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)butane-1,3-diamine is Cc1cccc(NC(C)CCN)c1C.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)butane-1,3-diamine?
The InChIKey is TZTHUXUQIBTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-5-4-6-12(11(9)3)14-10(2)7-8-13/h4-6,10,14H,7-8,13H2,1-3H3.
What are the key properties of 3-N-(2,3-dimethylphenyl)butane-1,3-diamine?
3-N-(2,3-dimethylphenyl)butane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylphenyl)butane-1,3-diamine is sourced from PubChem (CID 117027018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).