methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide

C6H13N2- — CID 90743593

IUPACmethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide
SMILESC[N-]C[C@@H]1CCCN1
InChIInChI=1S/C6H13N2/c1-7-5-6-3-2-4-8-6/h6,8H,2-5H2,1H3/q-1/t6-/m0/s1
InChIKeyIRDDHRADIRITDJ-LURJTMIESA-N
MW113.18 g/mol
LogP0.74
Rot. Bonds2

About methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide

methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide (PubChem CID 90743593) has the molecular formula C6H13N2- and a molecular weight of 113.18 g/mol. Its IUPAC name is methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide.

Molecular Properties

Compound Namemethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide
PubChem CID90743593
Molecular FormulaC6H13N2-
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Namemethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide
SMILESC[N-]C[C@@H]1CCCN1
InChIInChI=1S/C6H13N2/c1-7-5-6-3-2-4-8-6/h6,8H,2-5H2,1H3/q-1/t6-/m0/s1
InChIKeyIRDDHRADIRITDJ-LURJTMIESA-N
XLogP0.74
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099
CID 18724132
CID 18724132
pyrrolidin-2-ylmethanethiol
CID 15793333
trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium
CID 10986547
ethane;2-propylpyrrolidine
CID 143349498
2-pyrrolidin-2-ylacetonitrile
CID 12896132
ethane;(2R)-2-propylpyrrolidine
CID 155717204
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
[(2S)-pyrrolidin-2-yl]methyl methanesulfonate
CID 124584223
1-methyl-3-(pyrrolidin-2-ylmethyl)pyrrolidin-2-one
CID 142209775
N-methyl-1-pyrrolidin-2-ylmethanamine;molecular hydrogen
CID 153348528

Frequently Asked Questions

What is the IUPAC name of methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide?
The IUPAC name of methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide (CID 90743593) is methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide.
What is the SMILES notation for methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide?
The canonical SMILES for methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide is C[N-]C[C@@H]1CCCN1.
What is the InChIKey of methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide?
The InChIKey is IRDDHRADIRITDJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H13N2/c1-7-5-6-3-2-4-8-6/h6,8H,2-5H2,1H3/q-1/t6-/m0/s1.
What are the key properties of methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide?
methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide has a molecular weight of 113.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(2S)-pyrrolidin-2-yl]methyl]azanide is sourced from PubChem (CID 90743593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).