(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C14H26N2O2 — CID 112629300

IUPAC(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCC(N)C2C)C1
InChIInChI=1S/C14H26N2O2/c1-9-12(4-3-5-13(9)15)14(18)16-7-6-11(8-16)10(2)17/h9-13,17H,3-8,15H2,1-2H3
InChIKeyZRXDXWFONYBIAT-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.98
Rot. Bonds2

About (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112629300) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112629300
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCC(N)C2C)C1
InChIInChI=1S/C14H26N2O2/c1-9-12(4-3-5-13(9)15)14(18)16-7-6-11(8-16)10(2)17/h9-13,17H,3-8,15H2,1-2H3
InChIKeyZRXDXWFONYBIAT-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625202
(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629306
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2-methylcyclohexyl)methanone
CID 62781364
(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174686
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79186972
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
(3-amino-2-methylcyclohexyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62783543
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
(3-amino-2-methylcyclohexyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62777748
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
cis-(1S,2R)-2-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114092803

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112629300) is (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CCCC(N)C2C)C1.
What is the InChIKey of (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZRXDXWFONYBIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9-12(4-3-5-13(9)15)14(18)16-7-6-11(8-16)10(2)17/h9-13,17H,3-8,15H2,1-2H3.
What are the key properties of (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112629300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).