4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine

C21H31FN4 — CID 123498754

IUPAC4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine
SMILESC=CC(F)=CC=C(C)CN(C)C1=NC2CC=C(C)CC2/C(=N/CCN)C1
InChIInChI=1S/C21H31FN4/c1-5-17(22)8-6-16(3)14-26(4)21-13-20(24-11-10-23)18-12-15(2)7-9-19(18)25-21/h5-8,18-19H,1,9-14,23H2,2-4H3/b16-6?,17-8?,24-20+
InChIKeyZIOVNNDSBQGWML-FSZFVJFESA-N
MW358.51 g/mol
LogP3.83
Rot. Bonds6

About 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine

4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine (PubChem CID 123498754) has the molecular formula C21H31FN4 and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine
PubChem CID123498754
Molecular FormulaC21H31FN4
Molecular Weight358.51 g/mol
Exact Mass358.25
IUPAC Name4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine
SMILESC=CC(F)=CC=C(C)CN(C)C1=NC2CC=C(C)CC2/C(=N/CCN)C1
InChIInChI=1S/C21H31FN4/c1-5-17(22)8-6-16(3)14-26(4)21-13-20(24-11-10-23)18-12-15(2)7-9-19(18)25-21/h5-8,18-19H,1,9-14,23H2,2-4H3/b16-6?,17-8?,24-20+
InChIKeyZIOVNNDSBQGWML-FSZFVJFESA-N
XLogP3.83
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine with MolForge

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Related Compounds

4-(2-aminoethylimino)-N-[3-(1,1-difluoroethyl)-2-ethenylpenta-2,4-dienyl]-N,8-diethyl-6-methyl-8,8a-dihydro-3H-quinolin-2-amine
CID 123724180
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 123388354
3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine
CID 143397821
N'-[(Z,1R)-1-aminooct-5-enyl]-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylcyclohexanecarboximidamide
CID 164172759

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine?
The IUPAC name of 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine (CID 123498754) is 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine.
What is the SMILES notation for 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine?
The canonical SMILES for 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine is C=CC(F)=CC=C(C)CN(C)C1=NC2CC=C(C)CC2/C(=N/CCN)C1.
What is the InChIKey of 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine?
The InChIKey is ZIOVNNDSBQGWML-FSZFVJFESA-N. The full InChI is InChI=1S/C21H31FN4/c1-5-17(22)8-6-16(3)14-26(4)21-13-20(24-11-10-23)18-12-15(2)7-9-19(18)25-21/h5-8,18-19H,1,9-14,23H2,2-4H3/b16-6?,17-8?,24-20+.
What are the key properties of 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine?
4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine has a molecular weight of 358.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine is sourced from PubChem (CID 123498754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).