1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol

C14H28N2O — CID 112624686

IUPAC1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol
SMILESCC1CCC(CN)C(N2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H28N2O/c1-10-3-4-12(8-15)14(7-10)16-6-5-13(9-16)11(2)17/h10-14,17H,3-9,15H2,1-2H3
InChIKeyTYAQWESMXXCHCO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.45
Rot. Bonds3

About 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624686) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol
PubChem CID112624686
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol
SMILESCC1CCC(CN)C(N2CCC(C(C)O)C2)C1
InChIInChI=1S/C14H28N2O/c1-10-3-4-12(8-15)14(7-10)16-6-5-13(9-16)11(2)17/h10-14,17H,3-9,15H2,1-2H3
InChIKeyTYAQWESMXXCHCO-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 102956549
[1-(2,5-dimethylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114959766
[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 103503245
7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091243
N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 113417248
[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 62968920
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
CID 114678018
(2-amino-5-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629306
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
CID 62941504
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329
1-(3-methylcyclopentyl)ethanol
CID 12501270

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol (CID 112624686) is 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol is CC1CCC(CN)C(N2CCC(C(C)O)C2)C1.
What is the InChIKey of 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol?
The InChIKey is TYAQWESMXXCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10-3-4-12(8-15)14(7-10)16-6-5-13(9-16)11(2)17/h10-14,17H,3-9,15H2,1-2H3.
What are the key properties of 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(aminomethyl)-5-methylcyclohexyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).