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

C18H36N2O — CID 79310538

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)CC2CCCN2CC)C1
InChIInChI=1S/C18H36N2O/c1-4-7-15-9-10-18(21)16(12-15)13-19(3)14-17-8-6-11-20(17)5-2/h15-18,21H,4-14H2,1-3H3
InChIKeySTLQKYXOYVEJBZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.98
Rot. Bonds7

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

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 79310538) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
PubChem CID79310538
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)CC2CCCN2CC)C1
InChIInChI=1S/C18H36N2O/c1-4-7-15-9-10-18(21)16(12-15)13-19(3)14-17-8-6-11-20(17)5-2/h15-18,21H,4-14H2,1-3H3
InChIKeySTLQKYXOYVEJBZ-UHFFFAOYSA-N
XLogP2.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 79313488
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-propylcyclohexan-1-ol
CID 65324367
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 79313203
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 63488742
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 55128147

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol (CID 79310538) is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)CC2CCCN2CC)C1.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is STLQKYXOYVEJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-7-15-9-10-18(21)16(12-15)13-19(3)14-17-8-6-11-20(17)5-2/h15-18,21H,4-14H2,1-3H3.
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 2.98, 7 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-propylcyclohexan-1-ol is sourced from PubChem (CID 79310538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).