(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol

C11H20N2O — CID 130666304

IUPAC(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol
SMILESCn1cccc1[C@H](N)[C@H](O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-11(2,3)10(14)9(12)8-6-5-7-13(8)4/h5-7,9-10,14H,12H2,1-4H3/t9-,10-/m0/s1
InChIKeyFHYDSGDLXYPNRR-UWVGGRQHSA-N
MW196.29 g/mol
LogP1.43
Rot. Bonds2

About (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol

(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol (PubChem CID 130666304) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol
PubChem CID130666304
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol
SMILESCn1cccc1[C@H](N)[C@H](O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-11(2,3)10(14)9(12)8-6-5-7-13(8)4/h5-7,9-10,14H,12H2,1-4H3/t9-,10-/m0/s1
InChIKeyFHYDSGDLXYPNRR-UWVGGRQHSA-N
XLogP1.43
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130718418
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
CID 171243825
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
(1S)-3-methyl-1-(1-methylpyrrol-2-yl)but-3-en-1-amine
CID 130897911
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
CID 170829352
(1S)-2,2,3,3,3-pentafluoro-1-(1-methylpyrrol-2-yl)propan-1-amine;hydrochloride
CID 171311904
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036
(1S,2R)-1-amino-3,3-dimethyl-1-(2,4,5-trifluorophenyl)butan-2-ol
CID 171161596
(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol
CID 55265665
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
1-(1-methylpyrrol-2-yl)-3-sulfanylpropane-1,2-diol
CID 170821220

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol (CID 130666304) is (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol is Cn1cccc1[C@H](N)[C@H](O)C(C)(C)C.
What is the InChIKey of (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
The InChIKey is FHYDSGDLXYPNRR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)10(14)9(12)8-6-5-7-13(8)4/h5-7,9-10,14H,12H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol is sourced from PubChem (CID 130666304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).