(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine

C14H24N2 — CID 71019513

IUPAC(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine
SMILESCC[C@H](C)[C@H](N)CNc1cc(C)cc(C)c1
InChIInChI=1S/C14H24N2/c1-5-12(4)14(15)9-16-13-7-10(2)6-11(3)8-13/h6-8,12,14,16H,5,9,15H2,1-4H3/t12-,14+/m0/s1
InChIKeyOZRDNMWLKOSWGK-GXTWGEPZSA-N
MW220.36 g/mol
LogP3.09
Rot. Bonds5

About (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine

(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine (PubChem CID 71019513) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine
PubChem CID71019513
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine
SMILESCC[C@H](C)[C@H](N)CNc1cc(C)cc(C)c1
InChIInChI=1S/C14H24N2/c1-5-12(4)14(15)9-16-13-7-10(2)6-11(3)8-13/h6-8,12,14,16H,5,9,15H2,1-4H3/t12-,14+/m0/s1
InChIKeyOZRDNMWLKOSWGK-GXTWGEPZSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
1-amino-3-(3,5-dimethylanilino)propan-2-ol
CID 82040092
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
3-fluoro-N-(2-fluorobutyl)-5-methylaniline
CID 131160310
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
3-bromo-N-(3-methoxy-2-methylpropyl)-5-methylaniline
CID 102673341
5-fluoro-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 62698705
(3,5-dimethylanilino) 2-methylbutanoate
CID 174714521

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine?
The IUPAC name of (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine (CID 71019513) is (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine is CC[C@H](C)[C@H](N)CNc1cc(C)cc(C)c1.
What is the InChIKey of (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine?
The InChIKey is OZRDNMWLKOSWGK-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(4)14(15)9-16-13-7-10(2)6-11(3)8-13/h6-8,12,14,16H,5,9,15H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine?
(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 71019513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).