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

C14H26N2 — CID 143028537

IUPACN-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
SMILESC=C/C=C(\N=C)N1CCC(C)CC1.CCC
InChIInChI=1S/C11H18N2.C3H8/c1-4-5-11(12-3)13-8-6-10(2)7-9-13;1-3-2/h4-5,10H,1,3,6-9H2,2H3;3H2,1-2H3/b11-5+;
InChIKeyHMPYKOVNNKZJPJ-HMXKFKBXSA-N
MW222.38 g/mol
LogP3.86
Rot. Bonds3

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

N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane (PubChem CID 143028537) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane.

Molecular Properties

Compound NameN-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
PubChem CID143028537
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
SMILESC=C/C=C(\N=C)N1CCC(C)CC1.CCC
InChIInChI=1S/C11H18N2.C3H8/c1-4-5-11(12-3)13-8-6-10(2)7-9-13;1-3-2/h4-5,10H,1,3,6-9H2,2H3;3H2,1-2H3/b11-5+;
InChIKeyHMPYKOVNNKZJPJ-HMXKFKBXSA-N
XLogP3.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.86
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

N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 91333878
(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
[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-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane?
The IUPAC name of N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane (CID 143028537) is N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane.
What is the SMILES notation for N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane?
The canonical SMILES for N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane is C=C/C=C(\N=C)N1CCC(C)CC1.CCC.
What is the InChIKey of N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane?
The InChIKey is HMPYKOVNNKZJPJ-HMXKFKBXSA-N. The full InChI is InChI=1S/C11H18N2.C3H8/c1-4-5-11(12-3)13-8-6-10(2)7-9-13;1-3-2/h4-5,10H,1,3,6-9H2,2H3;3H2,1-2H3/b11-5+;.
What are the key properties of N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane?
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane has a molecular weight of 222.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane is sourced from PubChem (CID 143028537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).