7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

C16H21N3O — CID 79496736

IUPAC7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCCc1cc(OC)ccc12
InChIInChI=1S/C16H21N3O/c1-3-9-19-15(17)18-11-16(19)8-4-5-12-10-13(20-2)6-7-14(12)16/h3,6-7,10H,1,4-5,8-9,11H2,2H3,(H2,17,18)
InChIKeyQPQNVCBEQLEMEN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.04
Rot. Bonds3

About 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79496736) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79496736
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCCc1cc(OC)ccc12
InChIInChI=1S/C16H21N3O/c1-3-9-19-15(17)18-11-16(19)8-4-5-12-10-13(20-2)6-7-14(12)16/h3,6-7,10H,1,4-5,8-9,11H2,2H3,(H2,17,18)
InChIKeyQPQNVCBEQLEMEN-UHFFFAOYSA-N
XLogP2.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1'-prop-2-enylspiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 79498722
7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 79498420
5-ethyl-5-(4-methoxyphenyl)-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497656
1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine
CID 79509739
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
7-methoxy-2,2-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine
CID 102423902
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 116532523
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
(4aR)-7-methoxy-4a-prop-2-enyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 68835490

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 79496736) is 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is C=CCN1C(N)=NCC12CCCc1cc(OC)ccc12.
What is the InChIKey of 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is QPQNVCBEQLEMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-19-15(17)18-11-16(19)8-4-5-12-10-13(20-2)6-7-14(12)16/h3,6-7,10H,1,4-5,8-9,11H2,2H3,(H2,17,18).
What are the key properties of 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 271.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79496736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).