5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol

C17H37N3O — CID 79312291

IUPAC5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)CC1CCCN1CC
InChIInChI=1S/C17H37N3O/c1-5-11-18-17(3,15-21)10-8-12-19(4)14-16-9-7-13-20(16)6-2/h16,18,21H,5-15H2,1-4H3
InChIKeyMFEARZHZLVOQGR-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds11

About 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol

5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 79312291) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID79312291
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)CC1CCCN1CC
InChIInChI=1S/C17H37N3O/c1-5-11-18-17(3,15-21)10-8-12-19(4)14-16-9-7-13-20(16)6-2/h16,18,21H,5-15H2,1-4H3
InChIKeyMFEARZHZLVOQGR-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791065
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol (CID 79312291) is 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(C)CC1CCCN1CC.
What is the InChIKey of 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is MFEARZHZLVOQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-11-18-17(3,15-21)10-8-12-19(4)14-16-9-7-13-20(16)6-2/h16,18,21H,5-15H2,1-4H3.
What are the key properties of 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol?
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 79312291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).