(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine

C9H18N2 — CID 59401779

IUPAC(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
SMILESC[C@H]1CCCN1C1CCNC1
InChIInChI=1S/C9H18N2/c1-8-3-2-6-11(8)9-4-5-10-7-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyKHAUVQIIEQSBGB-IENPIDJESA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine

(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine (PubChem CID 59401779) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
PubChem CID59401779
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
SMILESC[C@H]1CCCN1C1CCNC1
InChIInChI=1S/C9H18N2/c1-8-3-2-6-11(8)9-4-5-10-7-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyKHAUVQIIEQSBGB-IENPIDJESA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
CID 67423613
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
ethane;5-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
CID 176948108
4-methyl-3-(2-methylpyrrolidin-1-yl)piperidine
CID 66271783
2-methyl-1-(4-methylpiperidin-3-yl)piperidine
CID 66272425
2-ethyl-1-pyrrolidin-3-ylpyrrolidine
CID 58468068
1-cyclopropyl-2-methyl-1,5-diazocane
CID 117014688
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
1-cyclopentyl-2-methyl-1,5-diazocane
CID 117014693
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
2-methyl-1-(5-methylpiperidin-3-yl)azepane
CID 115373516
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine?
The IUPAC name of (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine (CID 59401779) is (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine is C[C@H]1CCCN1C1CCNC1.
What is the InChIKey of (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine?
The InChIKey is KHAUVQIIEQSBGB-IENPIDJESA-N. The full InChI is InChI=1S/C9H18N2/c1-8-3-2-6-11(8)9-4-5-10-7-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine?
(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine is sourced from PubChem (CID 59401779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).