1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol

C16H32N2O — CID 79848410

IUPAC1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCCNC1C(CN2CCC(O)C2)CCCC1(C)C
InChIInChI=1S/C16H32N2O/c1-4-9-17-15-13(6-5-8-16(15,2)3)11-18-10-7-14(19)12-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyWPYHFRARQHAGEK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds5

About 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol

1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 79848410) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID79848410
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCCNC1C(CN2CCC(O)C2)CCCC1(C)C
InChIInChI=1S/C16H32N2O/c1-4-9-17-15-13(6-5-8-16(15,2)3)11-18-10-7-14(19)12-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyWPYHFRARQHAGEK-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 79852206
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842409
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 115561967
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114681978
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
6-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842434
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842625
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 79865591
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-4-methylpiperidin-4-ol
CID 81116006
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 103539183
2,2-dimethyl-N-propyl-5-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-amine
CID 79855942

Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol (CID 79848410) is 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol is CCCNC1C(CN2CCC(O)C2)CCCC1(C)C.
What is the InChIKey of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is WPYHFRARQHAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-17-15-13(6-5-8-16(15,2)3)11-18-10-7-14(19)12-18/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).