1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine

C16H23N3 — CID 79509739

IUPAC1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine
SMILESCCCN1C(N)=NCC12CCCCc1ccccc12
InChIInChI=1S/C16H23N3/c1-2-11-19-15(17)18-12-16(19)10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9H,2,5-6,8,10-12H2,1H3,(H2,17,18)
InChIKeyKZZWLNDLGDRQFD-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.65
Rot. Bonds2

About 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine

1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine (PubChem CID 79509739) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine.

Molecular Properties

Compound Name1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine
PubChem CID79509739
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine
SMILESCCCN1C(N)=NCC12CCCCc1ccccc12
InChIInChI=1S/C16H23N3/c1-2-11-19-15(17)18-12-16(19)10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9H,2,5-6,8,10-12H2,1H3,(H2,17,18)
InChIKeyKZZWLNDLGDRQFD-UHFFFAOYSA-N
XLogP2.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2-methoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 79505688
1'-[2-(dimethylamino)ethyl]-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 115420948
7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 79498420
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
7-methoxy-1'-prop-2-enylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 79496736
5-ethyl-5-(4-ethylphenyl)-1-propyl-4H-imidazol-2-amine
CID 79509520
6-fluoro-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 116532523
1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 79499915
5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 107046583
1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79509921
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273

Frequently Asked Questions

What is the IUPAC name of 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine?
The IUPAC name of 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine (CID 79509739) is 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine.
What is the SMILES notation for 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine?
The canonical SMILES for 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine is CCCN1C(N)=NCC12CCCCc1ccccc12.
What is the InChIKey of 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine?
The InChIKey is KZZWLNDLGDRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-11-19-15(17)18-12-16(19)10-6-5-8-13-7-3-4-9-14(13)16/h3-4,7,9H,2,5-6,8,10-12H2,1H3,(H2,17,18).
What are the key properties of 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine?
1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylspiro[4H-imidazole-5,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-2-amine is sourced from PubChem (CID 79509739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).