4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H32N2O2 — CID 64809592

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCOCC1CCN(C(C)CC(C)(CO)NC(C)C)C1
InChIInChI=1S/C15H32N2O2/c1-12(2)16-15(4,11-18)8-13(3)17-7-6-14(9-17)10-19-5/h12-14,16,18H,6-11H2,1-5H3
InChIKeyDFJHIULBOSTMAS-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.48
Rot. Bonds8

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64809592) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64809592
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCOCC1CCN(C(C)CC(C)(CO)NC(C)C)C1
InChIInChI=1S/C15H32N2O2/c1-12(2)16-15(4,11-18)8-13(3)17-7-6-14(9-17)10-19-5/h12-14,16,18H,6-11H2,1-5H3
InChIKeyDFJHIULBOSTMAS-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 113419338
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
4-(cyclopropylmethoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64803226
2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 64791235
2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
CID 64809388
2-methyl-2-(propan-2-ylamino)-4-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 64789765
2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 79934789
N'-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 77048476
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
2-(cyclopropylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-ol
CID 64809590
3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 64599754

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64809592) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is COCC1CCN(C(C)CC(C)(CO)NC(C)C)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is DFJHIULBOSTMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-12(2)16-15(4,11-18)8-13(3)17-7-6-14(9-17)10-19-5/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64809592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).