4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol

C14H28N2O — CID 65116040

IUPAC4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCN(C)C2)CC1
InChIInChI=1S/C14H28N2O/c1-3-12-4-7-14(17,8-5-12)11-15-13-6-9-16(2)10-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyMULJDOASKWQBHT-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds4

About 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65116040) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65116040
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCN(C)C2)CC1
InChIInChI=1S/C14H28N2O/c1-3-12-4-7-14(17,8-5-12)11-15-13-6-9-16(2)10-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyMULJDOASKWQBHT-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
CID 167504083
1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245097
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol (CID 65116040) is 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCN(C)C2)CC1.
What is the InChIKey of 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MULJDOASKWQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-12-4-7-14(17,8-5-12)11-15-13-6-9-16(2)10-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).