[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol

C12H26N2O — CID 62261349

IUPAC[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
SMILESCCNCC(C)(C)CN1CCCC1CO
InChIInChI=1S/C12H26N2O/c1-4-13-9-12(2,3)10-14-7-5-6-11(14)8-15/h11,13,15H,4-10H2,1-3H3
InChIKeyBCEPGSMSILBRKR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds6

About [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol

[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol (PubChem CID 62261349) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
PubChem CID62261349
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
SMILESCCNCC(C)(C)CN1CCCC1CO
InChIInChI=1S/C12H26N2O/c1-4-13-9-12(2,3)10-14-7-5-6-11(14)8-15/h11,13,15H,4-10H2,1-3H3
InChIKeyBCEPGSMSILBRKR-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076512
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]pyrrolidin-2-yl]methanol
CID 62259805
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62257221
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]piperidin-2-yl]methanol
CID 62260867
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
N-tert-butyl-3-(2-ethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62278344
2-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)-2-methylpropan-1-ol
CID 64790954
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82752526
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
[1-[3-(ethylamino)-2,2-dimethylbutyl]azepan-2-yl]methanol
CID 116638097
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425

Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol (CID 62261349) is [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol is CCNCC(C)(C)CN1CCCC1CO.
What is the InChIKey of [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol?
The InChIKey is BCEPGSMSILBRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-13-9-12(2,3)10-14-7-5-6-11(14)8-15/h11,13,15H,4-10H2,1-3H3.
What are the key properties of [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol?
[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62261349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).