2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol

C16H32N2O — CID 79313488

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCCN1CCCC1CN(C)CC1CC(C)CCC1O
InChIInChI=1S/C16H32N2O/c1-4-18-9-5-6-15(18)12-17(3)11-14-10-13(2)7-8-16(14)19/h13-16,19H,4-12H2,1-3H3
InChIKeyITPGDBCZUZDAMP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds5

About 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 79313488) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID79313488
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCCN1CCCC1CN(C)CC1CC(C)CCC1O
InChIInChI=1S/C16H32N2O/c1-4-18-9-5-6-15(18)12-17(3)11-14-10-13(2)7-8-16(14)19/h13-16,19H,4-12H2,1-3H3
InChIKeyITPGDBCZUZDAMP-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 55128147
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 79313203
4-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 62609711
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830
4-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 62610048
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79319761
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 79319599

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol (CID 79313488) is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol is CCN1CCCC1CN(C)CC1CC(C)CCC1O.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is ITPGDBCZUZDAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-18-9-5-6-15(18)12-17(3)11-14-10-13(2)7-8-16(14)19/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol?
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79313488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).