(2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine

C22H38N4 — CID 163972988

IUPAC(2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine
SMILESCC1CC/C(=C(C(=C2/CCC(C)N2)\C2CCC(C)N2)/C2CCC(C)N2)N1
InChIInChI=1S/C22H38N4/c1-13-5-9-17(23-13)21(18-10-6-14(2)24-18)22(19-11-7-15(3)25-19)20-12-8-16(4)26-20/h13-17,19,23-26H,5-12H2,1-4H3/b21-18+,22-20+
InChIKeySRQDZMMWHUNXOL-MVWNKOIHSA-N
MW358.57 g/mol
LogP3.32
Rot. Bonds3

About (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine

(2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine (PubChem CID 163972988) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine.

Molecular Properties

Compound Name(2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine
PubChem CID163972988
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC Name(2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine
SMILESCC1CC/C(=C(C(=C2/CCC(C)N2)\C2CCC(C)N2)/C2CCC(C)N2)N1
InChIInChI=1S/C22H38N4/c1-13-5-9-17(23-13)21(18-10-6-14(2)24-18)22(19-11-7-15(3)25-19)20-12-8-16(4)26-20/h13-17,19,23-26H,5-12H2,1-4H3/b21-18+,22-20+
InChIKeySRQDZMMWHUNXOL-MVWNKOIHSA-N
XLogP3.32
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-propan-2-ylidenepyrrolidine
CID 55288252
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
ethane;1-(5-methylpyrrolidin-2-yl)ethanone
CID 145078536
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469
methyl (2S,5R)-5-methylpyrrolidine-2-carboxylate;hydrochloride
CID 162341812
2,6-dimethylpiperidin-3-one
CID 22623666
(5S)-5-methylpyrrolidin-2-one
CID 7458701
(5S)-5-methylpyrrolidin-2-one;hydrochloride
CID 69463924
5-methylpyrrolidin-2-one;hydrate
CID 142802417
2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
CID 58594538
(1E)-N-methyl-1-(5-methylpyrrolidin-2-ylidene)methanamine
CID 126714528

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine?
The IUPAC name of (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine (CID 163972988) is (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine.
What is the SMILES notation for (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine?
The canonical SMILES for (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine is CC1CC/C(=C(C(=C2/CCC(C)N2)\C2CCC(C)N2)/C2CCC(C)N2)N1.
What is the InChIKey of (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine?
The InChIKey is SRQDZMMWHUNXOL-MVWNKOIHSA-N. The full InChI is InChI=1S/C22H38N4/c1-13-5-9-17(23-13)21(18-10-6-14(2)24-18)22(19-11-7-15(3)25-19)20-12-8-16(4)26-20/h13-17,19,23-26H,5-12H2,1-4H3/b21-18+,22-20+.
What are the key properties of (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine?
(2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine has a molecular weight of 358.57 g/mol, XLogP of 3.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2Z)-1,2-bis(5-methylpyrrolidin-2-yl)-2-(5-methylpyrrolidin-2-ylidene)ethylidene]-5-methylpyrrolidine is sourced from PubChem (CID 163972988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).