(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol

C10H22N2O — CID 138485429

IUPAC(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
SMILESCN(C)CCC[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C10H22N2O/c1-12(2)8-4-6-10(13)9-5-3-7-11-9/h9-11,13H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyRZHQUFCPFNIDTC-VHSXEESVSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds5

About (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol

(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol (PubChem CID 138485429) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
PubChem CID138485429
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol
SMILESCN(C)CCC[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C10H22N2O/c1-12(2)8-4-6-10(13)9-5-3-7-11-9/h9-11,13H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyRZHQUFCPFNIDTC-VHSXEESVSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
(1S)-2-(1-methylsiliran-1-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 142507527
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
CID 167554400
1-(azepan-2-yl)ethane-1,2-diol
CID 115006977
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868

Frequently Asked Questions

What is the IUPAC name of (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol?
The IUPAC name of (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol (CID 138485429) is (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol.
What is the SMILES notation for (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol?
The canonical SMILES for (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol is CN(C)CCC[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol?
The InChIKey is RZHQUFCPFNIDTC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(2)8-4-6-10(13)9-5-3-7-11-9/h9-11,13H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol?
(1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]butan-1-ol is sourced from PubChem (CID 138485429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).