5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol

C16H35N3O — CID 106808690

IUPAC5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN1CCCC1CN(C)C
InChIInChI=1S/C16H35N3O/c1-5-16(14-20,17-6-2)10-8-12-19-11-7-9-15(19)13-18(3)4/h15,17,20H,5-14H2,1-4H3
InChIKeyNVNRDOJHKTUEFE-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds10

About 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol

5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106808690) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106808690
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN1CCCC1CN(C)C
InChIInChI=1S/C16H35N3O/c1-5-16(14-20,17-6-2)10-8-12-19-11-7-9-15(19)13-18(3)4/h15,17,20H,5-14H2,1-4H3
InChIKeyNVNRDOJHKTUEFE-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106808975
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809327
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 106809860
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 106809124
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809456
2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
CID 106802390
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809028

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106808690) is 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCN1CCCC1CN(C)C.
What is the InChIKey of 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is NVNRDOJHKTUEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-16(14-20,17-6-2)10-8-12-19-11-7-9-15(19)13-18(3)4/h15,17,20H,5-14H2,1-4H3.
What are the key properties of 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol?
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106808690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).