2-N-(2-methylpentan-3-yl)benzene-1,2-diamine

C12H20N2 — CID 61469461

IUPAC2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
SMILESCCC(Nc1ccccc1N)C(C)C
InChIInChI=1S/C12H20N2/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4,13H2,1-3H3
InChIKeyNCUPHFUDXLKCFQ-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.12
Rot. Bonds4

About 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine

2-N-(2-methylpentan-3-yl)benzene-1,2-diamine (PubChem CID 61469461) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
PubChem CID61469461
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
SMILESCCC(Nc1ccccc1N)C(C)C
InChIInChI=1S/C12H20N2/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4,13H2,1-3H3
InChIKeyNCUPHFUDXLKCFQ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418
2-N-(3,3-dimethylbutan-2-yl)benzene-1,2-diamine
CID 104827391
3-amino-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 54954455
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
CID 113384458
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
5-N-(2-methylpentan-3-yl)isoquinoline-5,8-diamine
CID 54954555
2-(2-aminoanilino)propanoic acid
CID 67237083

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine (CID 61469461) is 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine is CCC(Nc1ccccc1N)C(C)C.
What is the InChIKey of 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine?
The InChIKey is NCUPHFUDXLKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4,13H2,1-3H3.
What are the key properties of 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine?
2-N-(2-methylpentan-3-yl)benzene-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpentan-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 61469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).