N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine

C25H35FN2 — CID 155241561

IUPACN-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine
SMILESC=C/C(=C(\C)CC)C1C=c2cc(NC(=C)C(F)(CCC)CCC)ncc2=CC1
InChIInChI=1S/C25H35FN2/c1-7-13-25(26,14-8-2)19(6)28-24-16-22-15-20(11-12-21(22)17-27-24)23(10-4)18(5)9-3/h10,12,15-17,20,28H,4,6-9,11,13-14H2,1-3,5H3/b23-18-
InChIKeyFAONUXNAWMOQQU-NKFKGCMQSA-N
MW382.57 g/mol
LogP5.81
Rot. Bonds10

About N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine

N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine (PubChem CID 155241561) has the molecular formula C25H35FN2 and a molecular weight of 382.57 g/mol. Its IUPAC name is N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine
PubChem CID155241561
Molecular FormulaC25H35FN2
Molecular Weight382.57 g/mol
Exact Mass382.28
IUPAC NameN-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine
SMILESC=C/C(=C(\C)CC)C1C=c2cc(NC(=C)C(F)(CCC)CCC)ncc2=CC1
InChIInChI=1S/C25H35FN2/c1-7-13-25(26,14-8-2)19(6)28-24-16-22-15-20(11-12-21(22)17-27-24)23(10-4)18(5)9-3/h10,12,15-17,20,28H,4,6-9,11,13-14H2,1-3,5H3/b23-18-
InChIKeyFAONUXNAWMOQQU-NKFKGCMQSA-N
XLogP5.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine?
The IUPAC name of N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine (CID 155241561) is N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine.
What is the SMILES notation for N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine?
The canonical SMILES for N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine is C=C/C(=C(\C)CC)C1C=c2cc(NC(=C)C(F)(CCC)CCC)ncc2=CC1.
What is the InChIKey of N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine?
The InChIKey is FAONUXNAWMOQQU-NKFKGCMQSA-N. The full InChI is InChI=1S/C25H35FN2/c1-7-13-25(26,14-8-2)19(6)28-24-16-22-15-20(11-12-21(22)17-27-24)23(10-4)18(5)9-3/h10,12,15-17,20,28H,4,6-9,11,13-14H2,1-3,5H3/b23-18-.
What are the key properties of N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine?
N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine has a molecular weight of 382.57 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3-propylhex-1-en-2-yl)-6-[(3Z)-4-methylhexa-1,3-dien-3-yl]-6,7-dihydroisoquinolin-3-amine is sourced from PubChem (CID 155241561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).