1-N-cyclopropyl-4-methylbenzene-1,2-diamine

C10H14N2 — CID 43349417

IUPAC1-N-cyclopropyl-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC2CC2)c(N)c1
InChIInChI=1S/C10H14N2/c1-7-2-5-10(9(11)6-7)12-8-3-4-8/h2,5-6,8,12H,3-4,11H2,1H3
InChIKeyQGDWUJVUOISPQE-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.15
Rot. Bonds2

About 1-N-cyclopropyl-4-methylbenzene-1,2-diamine

1-N-cyclopropyl-4-methylbenzene-1,2-diamine (PubChem CID 43349417) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-methylbenzene-1,2-diamine
PubChem CID43349417
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-N-cyclopropyl-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC2CC2)c(N)c1
InChIInChI=1S/C10H14N2/c1-7-2-5-10(9(11)6-7)12-8-3-4-8/h2,5-6,8,12H,3-4,11H2,1H3
InChIKeyQGDWUJVUOISPQE-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.15
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-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine
CID 114118630
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994
2-hydrazinyl-5-methylaniline
CID 89276855
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine
CID 43533362
3-(2-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628604
4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
CID 18509700
3-N-(2,4-dimethylphenyl)cyclopentane-1,3-diamine
CID 79462336

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-4-methylbenzene-1,2-diamine (CID 43349417) is 1-N-cyclopropyl-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-methylbenzene-1,2-diamine is Cc1ccc(NC2CC2)c(N)c1.
What is the InChIKey of 1-N-cyclopropyl-4-methylbenzene-1,2-diamine?
The InChIKey is QGDWUJVUOISPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-2-5-10(9(11)6-7)12-8-3-4-8/h2,5-6,8,12H,3-4,11H2,1H3.
What are the key properties of 1-N-cyclopropyl-4-methylbenzene-1,2-diamine?
1-N-cyclopropyl-4-methylbenzene-1,2-diamine has a molecular weight of 162.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 43349417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).