3-N-(2-methylpropyl)benzene-1,3-diamine

C10H16N2 — CID 43132719

IUPAC3-N-(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)CNc1cccc(N)c1
InChIInChI=1S/C10H16N2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyIUYRKPIBACUIQP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.34
Rot. Bonds3

About 3-N-(2-methylpropyl)benzene-1,3-diamine

3-N-(2-methylpropyl)benzene-1,3-diamine (PubChem CID 43132719) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-N-(2-methylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylpropyl)benzene-1,3-diamine
PubChem CID43132719
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-N-(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)CNc1cccc(N)c1
InChIInChI=1S/C10H16N2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyIUYRKPIBACUIQP-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
1-(3-aminoanilino)-4,4-dimethylpentan-2-ol
CID 107150901
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpropyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-methylpropyl)benzene-1,3-diamine (CID 43132719) is 3-N-(2-methylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methylpropyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methylpropyl)benzene-1,3-diamine is CC(C)CNc1cccc(N)c1.
What is the InChIKey of 3-N-(2-methylpropyl)benzene-1,3-diamine?
The InChIKey is IUYRKPIBACUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of 3-N-(2-methylpropyl)benzene-1,3-diamine?
3-N-(2-methylpropyl)benzene-1,3-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 43132719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).