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

C12H25NO — CID 83146581

IUPAC[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(CN1CCC(CO)C1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(12(2,3)4)7-13-6-5-11(8-13)9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyKSFDTXYNBIAJBU-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.98
Rot. Bonds3

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

[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol (PubChem CID 83146581) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
PubChem CID83146581
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
SMILESCC(CN1CCC(CO)C1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(12(2,3)4)7-13-6-5-11(8-13)9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyKSFDTXYNBIAJBU-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
CID 112628033
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 104567928
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147460
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol (CID 83146581) is [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol is CC(CN1CCC(CO)C1)C(C)(C)C.
What is the InChIKey of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol?
The InChIKey is KSFDTXYNBIAJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(12(2,3)4)7-13-6-5-11(8-13)9-14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol?
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 83146581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).