[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol

C14H28N2O — CID 113419340

IUPAC[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
SMILESCCCC1CCN(C2CCCC(N)(CO)C2)C1
InChIInChI=1S/C14H28N2O/c1-2-4-12-6-8-16(10-12)13-5-3-7-14(15,9-13)11-17/h12-13,17H,2-11,15H2,1H3
InChIKeyXOSWNGCKDIXSFN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.74
Rot. Bonds4

About [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol

[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol (PubChem CID 113419340) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
PubChem CID113419340
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol
SMILESCCCC1CCN(C2CCCC(N)(CO)C2)C1
InChIInChI=1S/C14H28N2O/c1-2-4-12-6-8-16(10-12)13-5-3-7-14(15,9-13)11-17/h12-13,17H,2-11,15H2,1H3
InChIKeyXOSWNGCKDIXSFN-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(3-ethylpiperidin-1-yl)cyclohexyl]methanol
CID 79640939
[1-amino-3-[4-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79634523
[1-amino-3-(3,4-dimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79634080
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
[1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]methanol
CID 79641042
[1-amino-3-(4-butan-2-ylpiperazin-1-yl)cyclohexyl]methanol
CID 79634360
[1-amino-3-(2,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79641278
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
CID 79656230
[1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclohexyl]methanol
CID 79635510
[1-amino-3-(3-ethyl-4-methylpiperazin-1-yl)cyclopentyl]methanol
CID 79655931
[1-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanol
CID 79634375

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol (CID 113419340) is [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol is CCCC1CCN(C2CCCC(N)(CO)C2)C1.
What is the InChIKey of [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol?
The InChIKey is XOSWNGCKDIXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-4-12-6-8-16(10-12)13-5-3-7-14(15,9-13)11-17/h12-13,17H,2-11,15H2,1H3.
What are the key properties of [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol?
[1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-propylpyrrolidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 113419340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).