N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine

C12H22N2 — CID 174356191

IUPACN-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C(C)C)N1CCC(C)C1
InChIInChI=1S/C12H22N2/c1-9(2)12(11(4)13-5)14-7-6-10(3)8-14/h9-10H,5-8H2,1-4H3/b12-11-
InChIKeySSYSPZUJWDPADF-QXMHVHEDSA-N
MW194.32 g/mol
LogP2.92
Rot. Bonds3

About N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine

N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine (PubChem CID 174356191) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine
PubChem CID174356191
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C(C)C)N1CCC(C)C1
InChIInChI=1S/C12H22N2/c1-9(2)12(11(4)13-5)14-7-6-10(3)8-14/h9-10H,5-8H2,1-4H3/b12-11-
InChIKeySSYSPZUJWDPADF-QXMHVHEDSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine (CID 174356191) is N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine is C=N/C(C)=C(/C(C)C)N1CCC(C)C1.
What is the InChIKey of N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine?
The InChIKey is SSYSPZUJWDPADF-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)12(11(4)13-5)14-7-6-10(3)8-14/h9-10H,5-8H2,1-4H3/b12-11-.
What are the key properties of N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine?
N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine has a molecular weight of 194.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyl-3-(3-methylpyrrolidin-1-yl)pent-2-en-2-yl]methanimine is sourced from PubChem (CID 174356191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).