2,3-dimethyl-3-N-phenylbutane-2,3-diamine

C12H20N2 — CID 141069242

IUPAC2,3-dimethyl-3-N-phenylbutane-2,3-diamine
SMILESCC(C)(N)C(C)(C)Nc1ccccc1
InChIInChI=1S/C12H20N2/c1-11(2,13)12(3,4)14-10-8-6-5-7-9-10/h5-9,14H,13H2,1-4H3
InChIKeyDGTGQWNMZLDDNY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.61
Rot. Bonds3

About 2,3-dimethyl-3-N-phenylbutane-2,3-diamine

2,3-dimethyl-3-N-phenylbutane-2,3-diamine (PubChem CID 141069242) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,3-dimethyl-3-N-phenylbutane-2,3-diamine.

Molecular Properties

Compound Name2,3-dimethyl-3-N-phenylbutane-2,3-diamine
PubChem CID141069242
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,3-dimethyl-3-N-phenylbutane-2,3-diamine
SMILESCC(C)(N)C(C)(C)Nc1ccccc1
InChIInChI=1S/C12H20N2/c1-11(2,13)12(3,4)14-10-8-6-5-7-9-10/h5-9,14H,13H2,1-4H3
InChIKeyDGTGQWNMZLDDNY-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-3-N-(4-methylphenyl)butane-2,3-diamine
CID 175188090
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
2-methyl-3-N-phenylbutane-2,3-diamine
CID 68860304
N-(2-methylsulfonylpropan-2-yl)aniline
CID 173038305
2-anilino-2-hydroxypropanoic acid
CID 159388558
(2R)-2-amino-2-anilino-4-tert-butylpentanedioic acid
CID 70046941
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
O-(1-anilino-2-methylpropan-2-yl)hydroxylamine
CID 57321473
1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine
CID 175759926
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-N-phenylbutane-2,3-diamine?
The IUPAC name of 2,3-dimethyl-3-N-phenylbutane-2,3-diamine (CID 141069242) is 2,3-dimethyl-3-N-phenylbutane-2,3-diamine.
What is the SMILES notation for 2,3-dimethyl-3-N-phenylbutane-2,3-diamine?
The canonical SMILES for 2,3-dimethyl-3-N-phenylbutane-2,3-diamine is CC(C)(N)C(C)(C)Nc1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-N-phenylbutane-2,3-diamine?
The InChIKey is DGTGQWNMZLDDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2,13)12(3,4)14-10-8-6-5-7-9-10/h5-9,14H,13H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-N-phenylbutane-2,3-diamine?
2,3-dimethyl-3-N-phenylbutane-2,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-N-phenylbutane-2,3-diamine is sourced from PubChem (CID 141069242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).