(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride

C16H31ClN2O2 — CID 119326965

IUPAC(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CCOC1CCN(C(=O)C2(N)CCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-13(2)7-11-20-14-6-10-18(12-14)15(19)16(17)8-4-3-5-9-16;/h13-14H,3-12,17H2,1-2H3;1H
InChIKeyYHRYCMOOLMQBLJ-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.73
Rot. Bonds5

About (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride

(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119326965) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119326965
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CCOC1CCN(C(=O)C2(N)CCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-13(2)7-11-20-14-6-10-18(12-14)15(19)16(17)8-4-3-5-9-16;/h13-14H,3-12,17H2,1-2H3;1H
InChIKeyYHRYCMOOLMQBLJ-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119345338
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
(1-aminocyclopropyl)-[(3R)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 130609691
(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
CID 119321409
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119269732
(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119338489
2-(4-aminophenyl)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119789456
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119149844
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(2S)-2-amino-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 119326955

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride (CID 119326965) is (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride is CC(C)CCOC1CCN(C(=O)C2(N)CCCCC2)C1.Cl.
What is the InChIKey of (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is YHRYCMOOLMQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-13(2)7-11-20-14-6-10-18(12-14)15(19)16(17)8-4-3-5-9-16;/h13-14H,3-12,17H2,1-2H3;1H.
What are the key properties of (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride?
(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119326965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).