[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine

C14H26N4O — CID 102182838

IUPAC[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C14H26N4O/c15-14(17-5-1-2-6-17)18-7-3-4-13(18)12-16-8-10-19-11-9-16/h13,15H,1-12H2/b15-14+/t13-/m0/s1
InChIKeyBJMZAUHHPYFGOG-NPIURYIMSA-N
MW266.39 g/mol
LogP0.81
Rot. Bonds2

About [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine

[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine (PubChem CID 102182838) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine
PubChem CID102182838
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C14H26N4O/c15-14(17-5-1-2-6-17)18-7-3-4-13(18)12-16-8-10-19-11-9-16/h13,15H,1-12H2/b15-14+/t13-/m0/s1
InChIKeyBJMZAUHHPYFGOG-NPIURYIMSA-N
XLogP0.81
TPSA42.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182840
morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182841
morpholin-4-yl-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182843
[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine
CID 102182845
triethyl-[[1-[(E)-N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 58529161
triethyl-[[1-[N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 67985975
triethyl-[[1-[N'-[N-methyl-N-[4-(3-methylmorpholin-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 123600864
bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
CID 11501486
3-Morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63175263
N'-cyclopentyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63532181
N-(diaminomethylidene)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 83037182
triethyl-[[1-[(E)-N'-[N-methyl-N-[4-(3-methylmorpholin-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 89530435

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine?
The IUPAC name of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine (CID 102182838) is [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine?
The canonical SMILES for [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)N1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine?
The InChIKey is BJMZAUHHPYFGOG-NPIURYIMSA-N. The full InChI is InChI=1S/C14H26N4O/c15-14(17-5-1-2-6-17)18-7-3-4-13(18)12-16-8-10-19-11-9-16/h13,15H,1-12H2/b15-14+/t13-/m0/s1.
What are the key properties of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine?
[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine has a molecular weight of 266.39 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 102182838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).