(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine

C9H20N2 — CID 59058691

IUPAC(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
SMILESCC(C)[C@@H](N)C[C@H]1CCCN1
InChIInChI=1S/C9H20N2/c1-7(2)9(10)6-8-4-3-5-11-8/h7-9,11H,3-6,10H2,1-2H3/t8-,9+/m1/s1
InChIKeyZPCSGJOSNWJZKX-BDAKNGLRSA-N
MW156.27 g/mol
LogP1.11
Rot. Bonds3

About (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine

(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine (PubChem CID 59058691) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
PubChem CID59058691
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
SMILESCC(C)[C@@H](N)C[C@H]1CCCN1
InChIInChI=1S/C9H20N2/c1-7(2)9(10)6-8-4-3-5-11-8/h7-9,11H,3-6,10H2,1-2H3/t8-,9+/m1/s1
InChIKeyZPCSGJOSNWJZKX-BDAKNGLRSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
1-(azetidin-2-yl)-3-methylbutan-2-ol
CID 105428563
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2S,3R)-4,4-dimethyl-1-[(2R)-piperidin-2-yl]pentane-2,3-diol
CID 11746013

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine?
The IUPAC name of (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine (CID 59058691) is (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine is CC(C)[C@@H](N)C[C@H]1CCCN1.
What is the InChIKey of (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine?
The InChIKey is ZPCSGJOSNWJZKX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)9(10)6-8-4-3-5-11-8/h7-9,11H,3-6,10H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine?
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine is sourced from PubChem (CID 59058691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).