(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine

C17H25N3 — CID 155747111

IUPAC(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine
SMILESC=C/C=C(\C=C/C)/N=C1C(=C(/C)N)/CCC(=C)N/1CC
InChIInChI=1S/C17H25N3/c1-6-9-15(10-7-2)19-17-16(14(5)18)12-11-13(4)20(17)8-3/h6-7,9-10H,1,4,8,11-12,18H2,2-3,5H3/b10-7-,15-9+,16-14-,19-17-
InChIKeyHSRPXLJNQOCZHW-YXPDTQDESA-N
MW271.41 g/mol
LogP3.89
Rot. Bonds4

About (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine

(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine (PubChem CID 155747111) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine.

Molecular Properties

Compound Name(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine
PubChem CID155747111
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine
SMILESC=C/C=C(\C=C/C)/N=C1C(=C(/C)N)/CCC(=C)N/1CC
InChIInChI=1S/C17H25N3/c1-6-9-15(10-7-2)19-17-16(14(5)18)12-11-13(4)20(17)8-3/h6-7,9-10H,1,4,8,11-12,18H2,2-3,5H3/b10-7-,15-9+,16-14-,19-17-
InChIKeyHSRPXLJNQOCZHW-YXPDTQDESA-N
XLogP3.89
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
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-(2-Methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethanamine
CID 67554552
2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
CID 118617834
(Z,2Z)-4-amino-N',3-dimethyl-2-(4-methylidenepiperidin-3-ylidene)pent-3-enimidamide
CID 122468312
4-Hept-2-en-3-yl-3-(3-methylidenehex-4-en-2-ylidene)pyrazin-2-amine
CID 123285812
3-(3-Methylidenehex-4-en-2-ylidene)-4-pentylpyrazin-2-amine
CID 123349378
3-(3-Methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
CID 123787402
(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
(1E,3Z,7Z)-7-(1-cyclopentyl-5-ethenyl-2-prop-1-en-2-yliminopyrrol-3-ylidene)-2-piperazin-1-ylhepta-1,3-dien-1-amine
CID 139516116

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine?
The IUPAC name of (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine (CID 155747111) is (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine.
What is the SMILES notation for (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine?
The canonical SMILES for (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine is C=C/C=C(\C=C/C)/N=C1C(=C(/C)N)/CCC(=C)N/1CC.
What is the InChIKey of (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine?
The InChIKey is HSRPXLJNQOCZHW-YXPDTQDESA-N. The full InChI is InChI=1S/C17H25N3/c1-6-9-15(10-7-2)19-17-16(14(5)18)12-11-13(4)20(17)8-3/h6-7,9-10H,1,4,8,11-12,18H2,2-3,5H3/b10-7-,15-9+,16-14-,19-17-.
What are the key properties of (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine?
(1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[1-ethyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imino-6-methylidenepiperidin-3-ylidene]ethanamine is sourced from PubChem (CID 155747111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).