5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine

C17H27N3 — CID 90950644

IUPAC5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
SMILES[H]/N=C(C)/C(=C\CC(=C)C)NC1=NC=C(CC)C(C)C1C
InChIInChI=1S/C17H27N3/c1-7-15-10-19-17(13(5)12(15)4)20-16(14(6)18)9-8-11(2)3/h9-10,12-13,18H,2,7-8H2,1,3-6H3,(H,19,20)/b16-9+,18-14+
InChIKeyWPIMCBDKTZMMFV-CLHWFGEQSA-N
MW273.42 g/mol
LogP4.44
Rot. Bonds5

About 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine

5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine (PubChem CID 90950644) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
PubChem CID90950644
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine
SMILES[H]/N=C(C)/C(=C\CC(=C)C)NC1=NC=C(CC)C(C)C1C
InChIInChI=1S/C17H27N3/c1-7-15-10-19-17(13(5)12(15)4)20-16(14(6)18)9-8-11(2)3/h9-10,12-13,18H,2,7-8H2,1,3-6H3,(H,19,20)/b16-9+,18-14+
InChIKeyWPIMCBDKTZMMFV-CLHWFGEQSA-N
XLogP4.44
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
CID 137031858
4-[(4-Methyl-3,4-dihydropyridin-2-yl)amino]-5-methyliminocyclohex-3-ene-1-carbonitrile
CID 90726230
(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine
CID 123845893
(3E,4Z)-2-imino-N'-methyl-4-(3-methylbutan-2-yl)-N-(7-methylnona-2,7-dien-2-yl)-3-propylideneocta-4,6-dienimidamide
CID 123960329
3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 163530954
2-Methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
CID 166805466
N'-[(Z)-prop-1-enyl]-N-[(4Z)-3,4,5-trimethylnona-1,4-dien-2-yl]ethanimidamide
CID 156791241

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine?
The IUPAC name of 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine (CID 90950644) is 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine is [H]/N=C(C)/C(=C\CC(=C)C)NC1=NC=C(CC)C(C)C1C.
What is the InChIKey of 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine?
The InChIKey is WPIMCBDKTZMMFV-CLHWFGEQSA-N. The full InChI is InChI=1S/C17H27N3/c1-7-15-10-19-17(13(5)12(15)4)20-16(14(6)18)9-8-11(2)3/h9-10,12-13,18H,2,7-8H2,1,3-6H3,(H,19,20)/b16-9+,18-14+.
What are the key properties of 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine?
5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3E)-2-imino-6-methylhepta-3,6-dien-3-yl]-3,4-dimethyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 90950644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).