(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen

C8H19N — CID 142042486

IUPAC(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
SMILESCC(C)C[C@@H]1CCCN1.[H][H]
InChIInChI=1S/C8H17N.H2/c1-7(2)6-8-4-3-5-9-8;/h7-9H,3-6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyRMOHVWWKLCWWFW-QRPNPIFTSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds2

About (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen

(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen (PubChem CID 142042486) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
PubChem CID142042486
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
SMILESCC(C)C[C@@H]1CCCN1.[H][H]
InChIInChI=1S/C8H17N.H2/c1-7(2)6-8-4-3-5-9-8;/h7-9H,3-6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyRMOHVWWKLCWWFW-QRPNPIFTSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
CID 116906639
2-(2-methylpropyl)pyrrolidine;pyrazine;1,3-thiazole
CID 143433469
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
5-(2-methylpropyl)-1,4-oxazepane
CID 129066958
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
N-methyl-1-pyrrolidin-2-ylmethanamine;molecular hydrogen
CID 153348528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen?
The IUPAC name of (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen (CID 142042486) is (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen.
What is the SMILES notation for (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen?
The canonical SMILES for (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen is CC(C)C[C@@H]1CCCN1.[H][H].
What is the InChIKey of (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen?
The InChIKey is RMOHVWWKLCWWFW-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17N.H2/c1-7(2)6-8-4-3-5-9-8;/h7-9H,3-6H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen?
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen has a molecular weight of 129.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen is sourced from PubChem (CID 142042486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).