1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine

C12H18N2 — CID 43533362

IUPAC1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC(C)C2CC2)c(N)c1
InChIInChI=1S/C12H18N2/c1-8-3-6-12(11(13)7-8)14-9(2)10-4-5-10/h3,6-7,9-10,14H,4-5,13H2,1-2H3
InChIKeyDJASUGIHEOUFSM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.79
Rot. Bonds3

About 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine

1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine (PubChem CID 43533362) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine
PubChem CID43533362
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NC(C)C2CC2)c(N)c1
InChIInChI=1S/C12H18N2/c1-8-3-6-12(11(13)7-8)14-9(2)10-4-5-10/h3,6-7,9-10,14H,4-5,13H2,1-2H3
InChIKeyDJASUGIHEOUFSM-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.79
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

N-ethyl-3-methylaniline
CID 7603
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
Epicept NP-1
CID 5276854
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline
CID 518751
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
1-N-(4-methylphenyl)benzene-1,2-diamine
CID 2331656
1-(3,4-Xylyl)piperazine
CID 2723782
N-Ethyl-p-toluidine
CID 61164
Benzenamine, N,3-dimethyl-
CID 69675
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine (CID 43533362) is 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine is Cc1ccc(NC(C)C2CC2)c(N)c1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine?
The InChIKey is DJASUGIHEOUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-3-6-12(11(13)7-8)14-9(2)10-4-5-10/h3,6-7,9-10,14H,4-5,13H2,1-2H3.
What are the key properties of 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine?
1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 43533362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).