7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

C16H21N — CID 70374470

IUPAC7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESC=CCC1CC2=C3C(=CC=NC2)CCCC3C1
InChIInChI=1S/C16H21N/c1-2-4-12-9-14-6-3-5-13-7-8-17-11-15(10-12)16(13)14/h2,7-8,12,14H,1,3-6,9-11H2
InChIKeyUSPUYXBCKMDNRK-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.08
Rot. Bonds2

About 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (PubChem CID 70374470) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.

Molecular Properties

Compound Name7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
PubChem CID70374470
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESC=CCC1CC2=C3C(=CC=NC2)CCCC3C1
InChIInChI=1S/C16H21N/c1-2-4-12-9-14-6-3-5-13-7-8-17-11-15(10-12)16(13)14/h2,7-8,12,14H,1,3-6,9-11H2
InChIKeyUSPUYXBCKMDNRK-UHFFFAOYSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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8-Pentyl-6,7,8,8a-tetrahydroquinoline
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4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
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2-Methyl-8-pentyl-6,7,8,8a-tetrahydroquinoline
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2-Cyano-1,2,3,4,8,9,10,10a-octahydronaphth[1,8-cd]azepine
CID 70374095
2-Methyl-1,2,3,4,8,9,10,10a-octahydronaphth[1,8-cd]azepine
CID 70374182
1,2,3,4,8,9,10,10a-Octahydronaphth[1,8-cd]azepine
CID 70374350
8-(2-Methylbutan-2-yl)-4a,8a-dihydroquinoline
CID 71069576
4-[4-[10-(2,3-Dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydropyridine
CID 88488360
3-[4-[4-[4-(1,5,6,8a-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]-2,3-dihydronaphthalen-1-yl]-2H-pyrrole
CID 88530099
3-[4-[(1E)-4-[4-[(Z)-2-cyclohex-2-en-1-ylhept-2-en-3-yl]cyclohexa-1,3-dien-1-yl]-1-(3-methylcyclohexylidene)pentyl]cyclohexa-1,3-dien-1-yl]-2H-pyrrole
CID 88530224
9-(cyclohexylmethyl)-1-methyl-4,8-dihydro-3H-cyclohepta[c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The IUPAC name of 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (CID 70374470) is 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.
What is the SMILES notation for 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The canonical SMILES for 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is C=CCC1CC2=C3C(=CC=NC2)CCCC3C1.
What is the InChIKey of 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The InChIKey is USPUYXBCKMDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-4-12-9-14-6-3-5-13-7-8-17-11-15(10-12)16(13)14/h2,7-8,12,14H,1,3-6,9-11H2.
What are the key properties of 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene has a molecular weight of 227.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is sourced from PubChem (CID 70374470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).