[1-(3-amino-2-methylanilino)cyclopentyl]methanol

C13H20N2O — CID 63062925

IUPAC[1-(3-amino-2-methylanilino)cyclopentyl]methanol
SMILESCc1c(N)cccc1NC1(CO)CCCC1
InChIInChI=1S/C13H20N2O/c1-10-11(14)5-4-6-12(10)15-13(9-16)7-2-3-8-13/h4-6,15-16H,2-3,7-9,14H2,1H3
InChIKeyWGZQPOLWONKKKN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds3

About [1-(3-amino-2-methylanilino)cyclopentyl]methanol

[1-(3-amino-2-methylanilino)cyclopentyl]methanol (PubChem CID 63062925) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(3-amino-2-methylanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2-methylanilino)cyclopentyl]methanol
PubChem CID63062925
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-(3-amino-2-methylanilino)cyclopentyl]methanol
SMILESCc1c(N)cccc1NC1(CO)CCCC1
InChIInChI=1S/C13H20N2O/c1-10-11(14)5-4-6-12(10)15-13(9-16)7-2-3-8-13/h4-6,15-16H,2-3,7-9,14H2,1H3
InChIKeyWGZQPOLWONKKKN-UHFFFAOYSA-N
XLogP2.29
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
CID 80833202
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
[1-[(8-aminoquinolin-4-yl)amino]cyclopentyl]methanol
CID 83060230
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
CID 80832784
2-methyl-3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-diamine
CID 63063432
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798
[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 62523969
[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
CID 66076669
[1-(2-amino-5-fluoro-4-iodoanilino)cyclopentyl]methanol
CID 66100703

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-methylanilino)cyclopentyl]methanol?
The IUPAC name of [1-(3-amino-2-methylanilino)cyclopentyl]methanol (CID 63062925) is [1-(3-amino-2-methylanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(3-amino-2-methylanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(3-amino-2-methylanilino)cyclopentyl]methanol is Cc1c(N)cccc1NC1(CO)CCCC1.
What is the InChIKey of [1-(3-amino-2-methylanilino)cyclopentyl]methanol?
The InChIKey is WGZQPOLWONKKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-11(14)5-4-6-12(10)15-13(9-16)7-2-3-8-13/h4-6,15-16H,2-3,7-9,14H2,1H3.
What are the key properties of [1-(3-amino-2-methylanilino)cyclopentyl]methanol?
[1-(3-amino-2-methylanilino)cyclopentyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2-methylanilino)cyclopentyl]methanol is sourced from PubChem (CID 63062925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).