3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine

C11H22N2O — CID 103532352

IUPAC3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
SMILESCOC1CCN(C2CCCC(N)C2)C1
InChIInChI=1S/C11H22N2O/c1-14-11-5-6-13(8-11)10-4-2-3-9(12)7-10/h9-11H,2-8,12H2,1H3
InChIKeyYHYKPUXACVZTPR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds2

About 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine

3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 103532352) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID103532352
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
SMILESCOC1CCN(C2CCCC(N)C2)C1
InChIInChI=1S/C11H22N2O/c1-14-11-5-6-13(8-11)10-4-2-3-9(12)7-10/h9-11H,2-8,12H2,1H3
InChIKeyYHYKPUXACVZTPR-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
3-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 79469432
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
3-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
CID 164658033
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
(3S)-3-methoxy-1-(oxetan-3-yl)pyrrolidine
CID 118553663
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
3-(4-methoxypiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 79631436
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
CID 106674357

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine (CID 103532352) is 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine is COC1CCN(C2CCCC(N)C2)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is YHYKPUXACVZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-11-5-6-13(8-11)10-4-2-3-9(12)7-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 103532352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).