[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone

C17H30N2O2 — CID 115439257

IUPAC[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESNCC1(C(=O)N2CCCC2C2CCCCC2)CCOCC1
InChIInChI=1S/C17H30N2O2/c18-13-17(8-11-21-12-9-17)16(20)19-10-4-7-15(19)14-5-2-1-3-6-14/h14-15H,1-13,18H2
InChIKeyCNAHRPGVESPGSA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone (PubChem CID 115439257) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
PubChem CID115439257
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESNCC1(C(=O)N2CCCC2C2CCCCC2)CCOCC1
InChIInChI=1S/C17H30N2O2/c18-13-17(8-11-21-12-9-17)16(20)19-10-4-7-15(19)14-5-2-1-3-6-14/h14-15H,1-13,18H2
InChIKeyCNAHRPGVESPGSA-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-[4-(aminomethyl)oxan-4-yl]methanone
CID 120935565
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
CID 115439298
[4-(aminomethyl)oxan-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115439243
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120937073
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
CID 82746951
[1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 115447990

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone (CID 115439257) is [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone is NCC1(C(=O)N2CCCC2C2CCCCC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone?
The InChIKey is CNAHRPGVESPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c18-13-17(8-11-21-12-9-17)16(20)19-10-4-7-15(19)14-5-2-1-3-6-14/h14-15H,1-13,18H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115439257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).