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

C12H18N2 — CID 43436194

IUPAC4-N-cyclopentyl-2-methylbenzene-1,4-diamine
SMILESCc1cc(NC2CCCC2)ccc1N
InChIInChI=1S/C12H18N2/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6-8,10,14H,2-5,13H2,1H3
InChIKeySAHDFGWNAWGVKM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.93
Rot. Bonds2

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

4-N-cyclopentyl-2-methylbenzene-1,4-diamine (PubChem CID 43436194) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-methylbenzene-1,4-diamine
PubChem CID43436194
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-N-cyclopentyl-2-methylbenzene-1,4-diamine
SMILESCc1cc(NC2CCCC2)ccc1N
InChIInChI=1S/C12H18N2/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6-8,10,14H,2-5,13H2,1H3
InChIKeySAHDFGWNAWGVKM-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.93
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

4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
4-bromo-1-N-cyclopentylbenzene-1,3-diamine
CID 82934286
N-cyclopentyl-4-iodo-3-methylaniline
CID 166607280
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
4-(cyclopentylamino)-2-methylbenzenecarbothioamide
CID 81278916
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-methylbenzene-1,4-diamine (CID 43436194) is 4-N-cyclopentyl-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-methylbenzene-1,4-diamine is Cc1cc(NC2CCCC2)ccc1N.
What is the InChIKey of 4-N-cyclopentyl-2-methylbenzene-1,4-diamine?
The InChIKey is SAHDFGWNAWGVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-8-11(6-7-12(9)13)14-10-4-2-3-5-10/h6-8,10,14H,2-5,13H2,1H3.
What are the key properties of 4-N-cyclopentyl-2-methylbenzene-1,4-diamine?
4-N-cyclopentyl-2-methylbenzene-1,4-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43436194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).