N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine

C12H20N2 — CID 154947685

IUPACN-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine
SMILESC=N/C(=C\CCC)C1CC=CCN1C
InChIInChI=1S/C12H20N2/c1-4-5-8-11(13-2)12-9-6-7-10-14(12)3/h6-8,12H,2,4-5,9-10H2,1,3H3/b11-8-
InChIKeyRWERJQGHVKDNPX-FLIBITNWSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds4

About N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine

N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine (PubChem CID 154947685) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine
PubChem CID154947685
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine
SMILESC=N/C(=C\CCC)C1CC=CCN1C
InChIInChI=1S/C12H20N2/c1-4-5-8-11(13-2)12-9-6-7-10-14(12)3/h6-8,12H,2,4-5,9-10H2,1,3H3/b11-8-
InChIKeyRWERJQGHVKDNPX-FLIBITNWSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine?
The IUPAC name of N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine (CID 154947685) is N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine is C=N/C(=C\CCC)C1CC=CCN1C.
What is the InChIKey of N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine?
The InChIKey is RWERJQGHVKDNPX-FLIBITNWSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-8-11(13-2)12-9-6-7-10-14(12)3/h6-8,12H,2,4-5,9-10H2,1,3H3/b11-8-.
What are the key properties of N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine?
N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)pent-1-enyl]methanimine is sourced from PubChem (CID 154947685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).