N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine

C13H22N2 — CID 176699288

IUPACN-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H22N2/c1-5-6-13(14-4)15-9-7-12(8-10-15)11(2)3/h5-6,11-12H,1,4,7-10H2,2-3H3/b13-6+
InChIKeySPMYJZVTKTULNP-AWNIVKPZSA-N
MW206.33 g/mol
LogP3.08
Rot. Bonds4

About N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine

N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine (PubChem CID 176699288) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine
PubChem CID176699288
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H22N2/c1-5-6-13(14-4)15-9-7-12(8-10-15)11(2)3/h5-6,11-12H,1,4,7-10H2,2-3H3/b13-6+
InChIKeySPMYJZVTKTULNP-AWNIVKPZSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.08
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
N-[(1Z,3E)-4-(4-propan-2-ylpiperidin-1-yl)penta-1,3-dienyl]methanimine
CID 130222044
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)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 144753254
(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine
CID 167069355
ethane;(Z,Z)-N-[1-(4-methylpiperidin-1-yl)ethenyl]but-2-en-1-imine
CID 168179017
(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
N-[(1Z)-1-(4-ethylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699174
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 143028538

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine (CID 176699288) is N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine is C=C/C=C(\N=C)N1CCC(C(C)C)CC1.
What is the InChIKey of N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
The InChIKey is SPMYJZVTKTULNP-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-13(14-4)15-9-7-12(8-10-15)11(2)3/h5-6,11-12H,1,4,7-10H2,2-3H3/b13-6+.
What are the key properties of N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine?
N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine has a molecular weight of 206.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 176699288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).