N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine

C11H18N2 — CID 91333878

IUPACN-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=CC=C(N=C)N1CCC(C)CC1
InChIInChI=1S/C11H18N2/c1-4-5-11(12-3)13-8-6-10(2)7-9-13/h4-5,10H,1,3,6-9H2,2H3
InChIKeyKIZKHKNLGNGAKC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine

N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 91333878) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
PubChem CID91333878
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=CC=C(N=C)N1CCC(C)CC1
InChIInChI=1S/C11H18N2/c1-4-5-11(12-3)13-8-6-10(2)7-9-13/h4-5,10H,1,3,6-9H2,2H3
InChIKeyKIZKHKNLGNGAKC-UHFFFAOYSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dien-1-amine
CID 117890830
N-[(1Z,3Z)-3-methyl-1-(4-methylpiperidin-1-yl)penta-1,3-dienyl]methanimine
CID 132150718
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
CID 143028537
[1-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidin-4-yl]methanamine
CID 144238479
N-[(1Z,3Z)-1-piperidin-1-ylpenta-1,3-dienyl]methanimine
CID 144281614
N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 144753254
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934
N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156726917
ethane;(Z,Z)-N-[1-(4-methylpiperidin-1-yl)ethenyl]but-2-en-1-imine
CID 168179017
N-[(Z)-1-(4-ethylpiperidin-1-yl)prop-1-enyl]propan-1-imine
CID 173875011
(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine
CID 174108794
N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine
CID 176699057

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine (CID 91333878) is N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine is C=CC=C(N=C)N1CCC(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is KIZKHKNLGNGAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-11(12-3)13-8-6-10(2)7-9-13/h4-5,10H,1,3,6-9H2,2H3.
What are the key properties of N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 91333878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).