[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C14H26N2O2 — CID 112629313

IUPAC[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCC(CN)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10(17)13-5-6-16(9-13)14(18)12-4-2-3-11(7-12)8-15/h10-13,17H,2-9,15H2,1H3
InChIKeySGEJRNSDUWRHFN-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.98
Rot. Bonds3

About [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112629313) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112629313
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCC(CN)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10(17)13-5-6-16(9-13)14(18)12-4-2-3-11(7-12)8-15/h10-13,17H,2-9,15H2,1H3
InChIKeySGEJRNSDUWRHFN-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175176
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
1-[4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 115966230
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
CID 112627314
(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625202

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112629313) is [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CCCC(CN)C2)C1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SGEJRNSDUWRHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(17)13-5-6-16(9-13)14(18)12-4-2-3-11(7-12)8-15/h10-13,17H,2-9,15H2,1H3.
What are the key properties of [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112629313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).