2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride

C14H28ClN3O — CID 119917689

IUPAC2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCC(N)C1)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16;/h12-13H,2-11,15H2,1H3;1H
InChIKeyVEUBKYLTABPKRV-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.62
Rot. Bonds4

About 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride

2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride (PubChem CID 119917689) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
PubChem CID119917689
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCC(N)C1)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16;/h12-13H,2-11,15H2,1H3;1H
InChIKeyVEUBKYLTABPKRV-UHFFFAOYSA-N
XLogP1.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclohexyl-N-ethylacetamide
CID 79992651
N-cyclohexyl-N-ethyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 119928234
N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914794
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81491532
2-(4-aminopiperidin-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
CID 79327937
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride (CID 119917689) is 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride is CCN(C(=O)CN1CCC(N)C1)C1CCCCC1.Cl.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride?
The InChIKey is VEUBKYLTABPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-2-17(13-6-4-3-5-7-13)14(18)11-16-9-8-12(15)10-16;/h12-13H,2-11,15H2,1H3;1H.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride?
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 119917689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).