1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol

C14H28N2O — CID 112629144

IUPAC1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCNC1CCCCC1CN1CCC(C(C)O)C1
InChIInChI=1S/C14H28N2O/c1-11(17)12-7-8-16(9-12)10-13-5-3-4-6-14(13)15-2/h11-15,17H,3-10H2,1-2H3
InChIKeyHRJAEESOMONOBH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.47
Rot. Bonds4

About 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 112629144) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID112629144
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCNC1CCCCC1CN1CCC(C(C)O)C1
InChIInChI=1S/C14H28N2O/c1-11(17)12-7-8-16(9-12)10-13-5-3-4-6-14(13)15-2/h11-15,17H,3-10H2,1-2H3
InChIKeyHRJAEESOMONOBH-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[2-(ethylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629110
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 112629260
[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629018
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 103538860
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
1-[1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115967284
N-methyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094031
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methylcyclopentan-1-amine
CID 62610911
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol (CID 112629144) is 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol is CNC1CCCCC1CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is HRJAEESOMONOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(17)12-7-8-16(9-12)10-13-5-3-4-6-14(13)15-2/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).