(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine

C19H32N2 — CID 126516250

IUPAC(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
SMILESC=C/N=C(C(=C/C)/C(=C/CC)C(C)C)\N1CCCC[C@@H]1C
InChIInChI=1S/C19H32N2/c1-7-12-18(15(4)5)17(8-2)19(20-9-3)21-14-11-10-13-16(21)6/h8-9,12,15-16H,3,7,10-11,13-14H2,1-2,4-6H3/b17-8+,18-12+,20-19-/t16-/m0/s1
InChIKeyMYKIMPGCBDQBIT-FCIYIVIFSA-N
MW288.48 g/mol
LogP5.34
Rot. Bonds5

About (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine

(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine (PubChem CID 126516250) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine.

Molecular Properties

Compound Name(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
PubChem CID126516250
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
SMILESC=C/N=C(C(=C/C)/C(=C/CC)C(C)C)\N1CCCC[C@@H]1C
InChIInChI=1S/C19H32N2/c1-7-12-18(15(4)5)17(8-2)19(20-9-3)21-14-11-10-13-16(21)6/h8-9,12,15-16H,3,7,10-11,13-14H2,1-2,4-6H3/b17-8+,18-12+,20-19-/t16-/m0/s1
InChIKeyMYKIMPGCBDQBIT-FCIYIVIFSA-N
XLogP5.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine
CID 90781512
1-Ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
CID 10397320
N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
CID 91598723
(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
4-methyl-1-(5-methylhexyl)-8H-pyrido[2,3-b]azepin-5-imine
CID 123307248
N-(2-ethylidene-5-methylhexa-3,5-dienyl)-7,10-dimethyl-8,9-dihydro-7H-pyrazino[1,2-a]azepin-6-imine
CID 123841838
N-ethenyl-4-ethyl-9,12-dimethyl-2-(1-methylpiperidin-4-ylidene)-4-azabicyclo[6.5.0]trideca-10,12-dien-3-imine
CID 123848948
10-(5,6-dihydro-4H-azocin-1-yl)-2,3,8-trimethyl-9-pentan-2-yl-2,3-dihydroazecine
CID 124025320
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
ethane;N'-methyl-N-[1-[(4E,6Z,8Z)-3-methyldeca-4,6,8-trienyl]piperidin-4-yl]-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
CID 142084595
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-propan-2-ylpiperidin-4-yl)pyrrol-2-imine;ethane
CID 142354954
Methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
CID 142583905

Frequently Asked Questions

What is the IUPAC name of (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine?
The IUPAC name of (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine (CID 126516250) is (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine.
What is the SMILES notation for (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine?
The canonical SMILES for (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine is C=C/N=C(C(=C/C)/C(=C/CC)C(C)C)\N1CCCC[C@@H]1C.
What is the InChIKey of (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine?
The InChIKey is MYKIMPGCBDQBIT-FCIYIVIFSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-12-18(15(4)5)17(8-2)19(20-9-3)21-14-11-10-13-16(21)6/h8-9,12,15-16H,3,7,10-11,13-14H2,1-2,4-6H3/b17-8+,18-12+,20-19-/t16-/m0/s1.
What are the key properties of (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine?
(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine has a molecular weight of 288.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine is sourced from PubChem (CID 126516250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).