2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol

C9H19NO — CID 101194744

IUPAC2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
SMILESCC(C)C(O)[C@@H]1C[C@@H](C)CN1
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-11H,4-5H2,1-3H3/t7-,8+,9?/m1/s1
InChIKeyVTPGFDBBTQRFHK-WGTSGOJVSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol

2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol (PubChem CID 101194744) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
PubChem CID101194744
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
SMILESCC(C)C(O)[C@@H]1C[C@@H](C)CN1
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-11H,4-5H2,1-3H3/t7-,8+,9?/m1/s1
InChIKeyVTPGFDBBTQRFHK-WGTSGOJVSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243
(2S,5R)-5-methyl-2-propan-2-ylpiperidine;hydrochloride
CID 170903987
(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
CID 124669253
3,5-dimethyl-2-propan-2-ylpiperidine;ethane
CID 176942573
(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 178103010
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
1-(6-methylmorpholin-3-yl)ethanol
CID 123244330
3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol
CID 18724102
aziridin-2-yl(ethoxy)methanol
CID 163643755
2-chloro-5-methylpiperidin-3-ol
CID 176943303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol (CID 101194744) is 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol is CC(C)C(O)[C@@H]1C[C@@H](C)CN1.
What is the InChIKey of 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is VTPGFDBBTQRFHK-WGTSGOJVSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9(11)8-4-7(3)5-10-8/h6-11H,4-5H2,1-3H3/t7-,8+,9?/m1/s1.
What are the key properties of 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol?
2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 101194744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).