(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C14H26N2O2 — CID 112629306

IUPAC(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCC(N)C(C(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-9-3-4-13(15)12(7-9)14(18)16-6-5-11(8-16)10(2)17/h9-13,17H,3-8,15H2,1-2H3
InChIKeyVZLXVGQIKFDBJX-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.98
Rot. Bonds2

About (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112629306) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112629306
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCC(N)C(C(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-9-3-4-13(15)12(7-9)14(18)16-6-5-11(8-16)10(2)17/h9-13,17H,3-8,15H2,1-2H3
InChIKeyVZLXVGQIKFDBJX-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
(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629300
(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170649
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
[2-(4-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022900
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 115966230
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 110022886
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
[2-(3-fluorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023626
2,2-dichloro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110022839

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112629306) is (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC1CCC(N)C(C(=O)N2CCC(C(C)O)C2)C1.
What is the InChIKey of (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VZLXVGQIKFDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-9-3-4-13(15)12(7-9)14(18)16-6-5-11(8-16)10(2)17/h9-13,17H,3-8,15H2,1-2H3.
What are the key properties of (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(2-amino-5-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 (2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112629306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).