N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine

C12H20N2 — CID 138487196

IUPACN-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine
SMILESC=N/C=C(\C=C1\CCCNC1)C(C)C
InChIInChI=1S/C12H20N2/c1-10(2)12(9-13-3)7-11-5-4-6-14-8-11/h7,9-10,14H,3-6,8H2,1-2H3/b11-7-,12-9+
InChIKeyPIYWZOJBSCJLLW-VNPQWULESA-N
MW192.31 g/mol
LogP2.54
Rot. Bonds3

About N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine

N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine (PubChem CID 138487196) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine
PubChem CID138487196
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine
SMILESC=N/C=C(\C=C1\CCCNC1)C(C)C
InChIInChI=1S/C12H20N2/c1-10(2)12(9-13-3)7-11-5-4-6-14-8-11/h7,9-10,14H,3-6,8H2,1-2H3/b11-7-,12-9+
InChIKeyPIYWZOJBSCJLLW-VNPQWULESA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
N-[(1E,3E)-4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 143984943
(4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine
CID 89017735
(3E,4Z)-4-[(Z)-4,5-dimethylhex-2-enylidene]-3-ethylidenepiperidine
CID 89139812
(3E,4Z)-3,4-di(propylidene)piperidine
CID 89510179
6-Methyl-3-piperidin-4-yl-1,2-dihydropyridine
CID 118423115
2-(5-methyl-1,2-dihydropyridin-3-yl)-N'-piperidin-4-ylpropane-1,3-diamine
CID 118549064
4-(4-Methylpenta-2,4-dien-2-yl)piperidine
CID 123237175
4-(5-Methylhexa-2,4-dien-2-yl)piperidine
CID 123238114
3-Ethylidene-4-propylidenepiperidine
CID 123587386
(3E,4Z)-3-ethylidene-4-propylidenepiperidine
CID 134332305
(3Z,4Z)-3-ethylidene-5-methyl-4-(methylideneamino)-6-piperidin-1-yl-N-propylhepta-4,6-dien-1-amine
CID 135248037

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine?
The IUPAC name of N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine (CID 138487196) is N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine is C=N/C=C(\C=C1\CCCNC1)C(C)C.
What is the InChIKey of N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine?
The InChIKey is PIYWZOJBSCJLLW-VNPQWULESA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)12(9-13-3)7-11-5-4-6-14-8-11/h7,9-10,14H,3-6,8H2,1-2H3/b11-7-,12-9+.
What are the key properties of N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine?
N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine is sourced from PubChem (CID 138487196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).