1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol

C12H26N2O — CID 103358482

IUPAC1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol
SMILESCNC(C)C(C)(C)CN1CCC(C)(O)C1
InChIInChI=1S/C12H26N2O/c1-10(13-5)11(2,3)8-14-7-6-12(4,15)9-14/h10,13,15H,6-9H2,1-5H3
InChIKeyLRSISZVKIATAGN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds4

About 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol

1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358482) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol
PubChem CID103358482
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol
SMILESCNC(C)C(C)(C)CN1CCC(C)(O)C1
InChIInChI=1S/C12H26N2O/c1-10(13-5)11(2,3)8-14-7-6-12(4,15)9-14/h10,13,15H,6-9H2,1-5H3
InChIKeyLRSISZVKIATAGN-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,3-trimethyl-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-2-amine
CID 114279546
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358633
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
CID 103358649
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 66452767
1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
CID 103358630
N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 66454712
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
CID 130624309
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 79945527
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
CID 104960616
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-propan-2-ylpropanamide
CID 103728301

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol (CID 103358482) is 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol is CNC(C)C(C)(C)CN1CCC(C)(O)C1.
What is the InChIKey of 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol?
The InChIKey is LRSISZVKIATAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(13-5)11(2,3)8-14-7-6-12(4,15)9-14/h10,13,15H,6-9H2,1-5H3.
What are the key properties of 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol?
1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(methylamino)butyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).