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

C14H26N2O2 — CID 112625249

IUPAC(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(N)(C(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-6-14(15,8-10)13(18)16-7-5-12(9-16)11(2)17/h10-12,17H,3-9,15H2,1-2H3
InChIKeyBBPYGZPAFQQZFP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.12
Rot. Bonds2

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

(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112625249) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112625249
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(N)(C(=O)N2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-6-14(15,8-10)13(18)16-7-5-12(9-16)11(2)17/h10-12,17H,3-9,15H2,1-2H3
InChIKeyBBPYGZPAFQQZFP-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 64552763
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
2-(1-aminocyclopentyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625298
(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465581

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112625249) is (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC1CCCC(N)(C(=O)N2CCC(C(C)O)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BBPYGZPAFQQZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-3-6-14(15,8-10)13(18)16-7-5-12(9-16)11(2)17/h10-12,17H,3-9,15H2,1-2H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112625249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).