ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane

C18H36N2 — CID 142112970

IUPACethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane
SMILESC=C(/C=C\C)C1=C(NCC)CN(C)CC1.CC.CCC
InChIInChI=1S/C13H22N2.C3H8.C2H6/c1-5-7-11(3)12-8-9-15(4)10-13(12)14-6-2;1-3-2;1-2/h5,7,14H,3,6,8-10H2,1-2,4H3;3H2,1-2H3;1-2H3/b7-5-;;
InChIKeyXYLUNMNGBGHOSJ-MWKZNRQPSA-N
MW280.50 g/mol
LogP4.76
Rot. Bonds4

About ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane

ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane (PubChem CID 142112970) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane.

Molecular Properties

Compound Nameethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane
PubChem CID142112970
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Nameethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane
SMILESC=C(/C=C\C)C1=C(NCC)CN(C)CC1.CC.CCC
InChIInChI=1S/C13H22N2.C3H8.C2H6/c1-5-7-11(3)12-8-9-15(4)10-13(12)14-6-2;1-3-2;1-2/h5,7,14H,3,6,8-10H2,1-2,4H3;3H2,1-2H3;1-2H3/b7-5-;;
InChIKeyXYLUNMNGBGHOSJ-MWKZNRQPSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-allyl-N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
CID 6482275
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
N'-[(Z)-3-cyclohexa-1,5-dien-1-yl-3-(methylideneamino)prop-2-enyl]-N-[(3E)-2-methylidenehexa-3,5-dienyl]-N'-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 130183101
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
CID 135160132
(2Z,4Z)-9-(2-fluoro-2-methylpropyl)-6-methylidene-1,7,8,10-tetrahydropyrido[3,4-b]azocine
CID 154987711
N'-[4-(2-but-1-en-2-yl-5-fluorocyclohepta-1,4,6-trien-1-yl)but-1-en-2-yl]-N-methylethane-1,2-diamine
CID 166814349
5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-amine
CID 169033605
N'-butyl-N-[(1E)-1-[6-methylidene-5-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]ethyl]-N'-propylethane-1,2-diamine
CID 170408620
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 174362793
4-[2-[(3Z,6Z)-2-fluoroocta-3,6-dienyl]-1H-pyridin-4-yl]-N-methyl-N-propylbutan-1-amine
CID 176538907
N'-allyl-N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]ethane-1,2-diamine
CID 3006132

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane?
The IUPAC name of ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane (CID 142112970) is ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane.
What is the SMILES notation for ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane?
The canonical SMILES for ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane is C=C(/C=C\C)C1=C(NCC)CN(C)CC1.CC.CCC.
What is the InChIKey of ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane?
The InChIKey is XYLUNMNGBGHOSJ-MWKZNRQPSA-N. The full InChI is InChI=1S/C13H22N2.C3H8.C2H6/c1-5-7-11(3)12-8-9-15(4)10-13(12)14-6-2;1-3-2;1-2/h5,7,14H,3,6,8-10H2,1-2,4H3;3H2,1-2H3;1-2H3/b7-5-;;.
What are the key properties of ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane?
ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane has a molecular weight of 280.50 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-methyl-4-[(3Z)-penta-1,3-dien-2-yl]-3,6-dihydro-2H-pyridin-5-amine;propane is sourced from PubChem (CID 142112970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).