(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane

C15H32N2 — CID 178170620

IUPAC(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane
SMILESC/N=C(C)/C(C)=C(\C)N1CCCC1.CC.CC
InChIInChI=1S/C11H20N2.2C2H6/c1-9(10(2)12-4)11(3)13-7-5-6-8-13;2*1-2/h5-8H2,1-4H3;2*1-2H3/b11-9+,12-10+;;
InChIKeyYTZCJZIAYNOKNC-JDDKLYJPSA-N
MW240.43 g/mol
LogP4.52
Rot. Bonds2

About (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane

(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane (PubChem CID 178170620) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane.

Molecular Properties

Compound Name(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane
PubChem CID178170620
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane
SMILESC/N=C(C)/C(C)=C(\C)N1CCCC1.CC.CC
InChIInChI=1S/C11H20N2.2C2H6/c1-9(10(2)12-4)11(3)13-7-5-6-8-13;2*1-2/h5-8H2,1-4H3;2*1-2H3/b11-9+,12-10+;;
InChIKeyYTZCJZIAYNOKNC-JDDKLYJPSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(Z)-4-methyl-2-propan-2-yl-3-pyrrolidin-1-ylpent-2-enylidene]azanium
CID 134894730
1-methyl-2-[(5E)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
CID 60068739
(Z)-N,3-dimethyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 90213447
3-methyl-5-propan-2-yl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrrole
CID 131997938
(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
CID 158803013
methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
CID 159972928
(E)-N,N-diethyl-3-methyl-4-methyliminopent-2-en-2-amine;ethane
CID 178170753
N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine
CID 178171427
(4E)-4-butan-2-ylidene-1-methyl-N-propylpyrrolidin-3-imine
CID 144192477
1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
CID 159427217
(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
CID 159972929
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
CID 178170621

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane?
The IUPAC name of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane (CID 178170620) is (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane.
What is the SMILES notation for (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane?
The canonical SMILES for (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane is C/N=C(C)/C(C)=C(\C)N1CCCC1.CC.CC.
What is the InChIKey of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane?
The InChIKey is YTZCJZIAYNOKNC-JDDKLYJPSA-N. The full InChI is InChI=1S/C11H20N2.2C2H6/c1-9(10(2)12-4)11(3)13-7-5-6-8-13;2*1-2/h5-8H2,1-4H3;2*1-2H3/b11-9+,12-10+;;.
What are the key properties of (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane?
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane has a molecular weight of 240.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane is sourced from PubChem (CID 178170620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).