5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol

C17H35N3O — CID 66053891

IUPAC5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCC1CCC(NC)C(CN2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C17H35N3O/c1-5-13-6-7-17(18-2)14(8-13)10-20-12-16(21)9-15(20)11-19(3)4/h13-18,21H,5-12H2,1-4H3
InChIKeySKQSOJIJUJCQGD-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.40
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 66053891) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID66053891
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCC1CCC(NC)C(CN2CC(O)CC2CN(C)C)C1
InChIInChI=1S/C17H35N3O/c1-5-13-6-7-17(18-2)14(8-13)10-20-12-16(21)9-15(20)11-19(3)4/h13-18,21H,5-12H2,1-4H3
InChIKeySKQSOJIJUJCQGD-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66051575
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
5-[(dimethylamino)methyl]-1-(oxolan-3-ylmethyl)pyrrolidin-3-ol
CID 66052422
4-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 83222012
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol
CID 66051184
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381
5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 66052432
4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66383602

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol (CID 66053891) is 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol is CCC1CCC(NC)C(CN2CC(O)CC2CN(C)C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is SKQSOJIJUJCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-13-6-7-17(18-2)14(8-13)10-20-12-16(21)9-15(20)11-19(3)4/h13-18,21H,5-12H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 297.49 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).