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

C17H35N3O — CID 66051575

IUPAC5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCCNC1CCCCC1CN1CC(O)CC1CN(C)C
InChIInChI=1S/C17H35N3O/c1-4-9-18-17-8-6-5-7-14(17)11-20-13-16(21)10-15(20)12-19(2)3/h14-18,21H,4-13H2,1-3H3
InChIKeyHUTJJCUIEUXVPL-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.54
Rot. Bonds7

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

5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 66051575) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID66051575
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCCCNC1CCCCC1CN1CC(O)CC1CN(C)C
InChIInChI=1S/C17H35N3O/c1-4-9-18-17-8-6-5-7-14(17)11-20-13-16(21)10-15(20)12-19(2)3/h14-18,21H,4-13H2,1-3H3
InChIKeyHUTJJCUIEUXVPL-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66053891
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propylcycloheptan-1-amine
CID 62609112
5-[(dimethylamino)methyl]-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
CID 66052432
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102
2-[(2-ethylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62615155
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367
5-[(dimethylamino)methyl]-1-(oxolan-3-ylmethyl)pyrrolidin-3-ol
CID 66052422
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol (CID 66051575) is 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol is CCCNC1CCCCC1CN1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is HUTJJCUIEUXVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-9-18-17-8-6-5-7-14(17)11-20-13-16(21)10-15(20)12-19(2)3/h14-18,21H,4-13H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 297.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).