[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol

C11H22N2O — CID 112629420

IUPAC[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
SMILESNC1CCCC(N2CCC(CO)C2)C1
InChIInChI=1S/C11H22N2O/c12-10-2-1-3-11(6-10)13-5-4-9(7-13)8-14/h9-11,14H,1-8,12H2
InChIKeyUAOKFPCCONNRFA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.57
Rot. Bonds2

About [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol

[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol (PubChem CID 112629420) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
PubChem CID112629420
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
SMILESNC1CCCC(N2CCC(CO)C2)C1
InChIInChI=1S/C11H22N2O/c12-10-2-1-3-11(6-10)13-5-4-9(7-13)8-14/h9-11,14H,1-8,12H2
InChIKeyUAOKFPCCONNRFA-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-aminocyclopentyl)piperidin-4-yl]methanol
CID 79468998
[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532352
[1-(3-aminocyclobutyl)piperidin-4-yl]methanol
CID 80561474
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
1-(3-aminocyclohexyl)pyrrolidine-3,4-diol
CID 106674357
1-(3-aminocyclohexyl)pyrrolidine-3-carbonitrile
CID 164658033
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
1-cyclobutylpiperidin-3-amine
CID 63935163
[(3S)-3-aminocyclohexyl]methanol
CID 131334541
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol (CID 112629420) is [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol is NC1CCCC(N2CCC(CO)C2)C1.
What is the InChIKey of [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol?
The InChIKey is UAOKFPCCONNRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-2-1-3-11(6-10)13-5-4-9(7-13)8-14/h9-11,14H,1-8,12H2.
What are the key properties of [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol?
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).