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

C13H20N2 — CID 43370979

IUPAC1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NCC2CCCC2)c(N)c1
InChIInChI=1S/C13H20N2/c1-10-6-7-13(12(14)8-10)15-9-11-4-2-3-5-11/h6-8,11,15H,2-5,9,14H2,1H3
InChIKeyUEVVATXITVBPTB-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.18
Rot. Bonds3

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

1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine (PubChem CID 43370979) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
PubChem CID43370979
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NCC2CCCC2)c(N)c1
InChIInChI=1S/C13H20N2/c1-10-6-7-13(12(14)8-10)15-9-11-4-2-3-5-11/h6-8,11,15H,2-5,9,14H2,1H3
InChIKeyUEVVATXITVBPTB-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.18
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-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
CID 43371532
1-N-(cyclohexylmethyl)-4-iodobenzene-1,2-diamine
CID 66066462
ethyl 3-amino-4-(cyclohexylmethylamino)benzoate
CID 61305342
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
2-(cyclohexylmethylamino)-4-methylbenzonitrile
CID 62308973
2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine (CID 43370979) is 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine is Cc1ccc(NCC2CCCC2)c(N)c1.
What is the InChIKey of 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine?
The InChIKey is UEVVATXITVBPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-7-13(12(14)8-10)15-9-11-4-2-3-5-11/h6-8,11,15H,2-5,9,14H2,1H3.
What are the key properties of 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine?
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 43370979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).