(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine

C14H24N2 — CID 154677328

IUPAC(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C\C(=N/C)C1CCCCN1C(C)C
InChIInChI=1S/C14H24N2/c1-5-6-9-13(15-4)14-10-7-8-11-16(14)12(2)3/h5-6,9,12,14H,1,7-8,10-11H2,2-4H3/b9-6-,15-13+
InChIKeyAADGFTDKXYGWFN-SCUYVUPKSA-N
MW220.36 g/mol
LogP3.06
Rot. Bonds4

About (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine

(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine (PubChem CID 154677328) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine
PubChem CID154677328
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C\C(=N/C)C1CCCCN1C(C)C
InChIInChI=1S/C14H24N2/c1-5-6-9-13(15-4)14-10-7-8-11-16(14)12(2)3/h5-6,9,12,14H,1,7-8,10-11H2,2-4H3/b9-6-,15-13+
InChIKeyAADGFTDKXYGWFN-SCUYVUPKSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.06
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

2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
2-(1-Piperidin-1-ylethyl)azocine;dihydrochloride
CID 67711383
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
5-Piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine
CID 90696324
N-methyl-1-[2-(4-methylhexa-2,4-dien-3-yl)piperidin-1-yl]propan-2-imine
CID 90865012
5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
CID 142390176
(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 143420751
N,N-dimethyl-6-methyliminocyclohex-2-en-1-amine
CID 164148067
ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine
CID 167491206
(4Z)-N-methyl-1-propan-2-yl-4-prop-2-enylidenepiperidin-3-imine
CID 169567688

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine (CID 154677328) is (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine is C=C/C=C\C(=N/C)C1CCCCN1C(C)C.
What is the InChIKey of (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine?
The InChIKey is AADGFTDKXYGWFN-SCUYVUPKSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-6-9-13(15-4)14-10-7-8-11-16(14)12(2)3/h5-6,9,12,14H,1,7-8,10-11H2,2-4H3/b9-6-,15-13+.
What are the key properties of (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine?
(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine has a molecular weight of 220.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 154677328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).