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

C16H31N3O — CID 63175176

IUPAC[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2CCCC(CN)C2)C1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)15-8-9-19(12-15)16(20)14-7-5-6-13(10-14)11-17/h13-15H,3-12,17H2,1-2H3
InChIKeyRVGLMMNBEMVJRH-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds5

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

[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63175176) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63175176
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2CCCC(CN)C2)C1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)15-8-9-19(12-15)16(20)14-7-5-6-13(10-14)11-17/h13-15H,3-12,17H2,1-2H3
InChIKeyRVGLMMNBEMVJRH-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
[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
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
[2-[[[1-[3-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]boronic acid
CID 140644240
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
2-[3-(diethylamino)pyrrolidine-1-carbonyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390981
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63175176) is [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)C2CCCC(CN)C2)C1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is RVGLMMNBEMVJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-18(4-2)15-8-9-19(12-15)16(20)14-7-5-6-13(10-14)11-17/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63175176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).