5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol

C15H33N3O — CID 66051184

IUPAC5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol
SMILESCCC(CC)(CNC)CN1CC(O)CC1CN(C)C
InChIInChI=1S/C15H33N3O/c1-6-15(7-2,11-16-3)12-18-10-14(19)8-13(18)9-17(4)5/h13-14,16,19H,6-12H2,1-5H3
InChIKeyRFIGJEUNFXPKLE-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.01
Rot. Bonds8

About 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol (PubChem CID 66051184) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol
PubChem CID66051184
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol
SMILESCCC(CC)(CNC)CN1CC(O)CC1CN(C)C
InChIInChI=1S/C15H33N3O/c1-6-15(7-2,11-16-3)12-18-10-14(19)8-13(18)9-17(4)5/h13-14,16,19H,6-12H2,1-5H3
InChIKeyRFIGJEUNFXPKLE-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
5-[(dimethylamino)methyl]-1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66053309
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
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-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 66052045
5-[(dimethylamino)methyl]-1-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 66053891
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62263702
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
CID 106801504
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol (CID 66051184) is 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol is CCC(CC)(CNC)CN1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol?
The InChIKey is RFIGJEUNFXPKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-15(7-2,11-16-3)12-18-10-14(19)8-13(18)9-17(4)5/h13-14,16,19H,6-12H2,1-5H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol has a molecular weight of 271.45 g/mol, XLogP of 1.01, 8 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-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).