tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine

C16H17N — CID 56995744

IUPACtricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
SMILES[H]/N=C1\CC2CC=CC=C2C=CC2CC=CC=C12
InChIInChI=1S/C16H17N/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-5,8-10,13-14,17H,6-7,11H2/b10-9?,17-16+
InChIKeyNGUAHVRZEOHMQA-WREUFWCNSA-N
MW223.32 g/mol
LogP3.97
Rot. Bonds

About tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine

tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine (PubChem CID 56995744) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine.

Molecular Properties

Compound Nametricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
PubChem CID56995744
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Nametricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
SMILES[H]/N=C1\CC2CC=CC=C2C=CC2CC=CC=C12
InChIInChI=1S/C16H17N/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-5,8-10,13-14,17H,6-7,11H2/b10-9?,17-16+
InChIKeyNGUAHVRZEOHMQA-WREUFWCNSA-N
XLogP3.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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8,8a-dihydronaphthalene-2-thiol
CID 163854702
2-sulfonyl-4a,5-dihydro-1H-naphthalene
CID 54064259
6-imino-2-methyl-5-(4-methylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine
CID 143079676
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
CID 123397571
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
2a,3,7,7a,8,8a-hexahydrocyclobuta[b]naphthalene
CID 173279246
2-fluoro-2,3,3a,4-tetrahydroinden-1-one
CID 151740601
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
1,2,5,5a-tetrahydroacenaphthylene
CID 143575355

Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine?
The IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine (CID 56995744) is tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine.
What is the SMILES notation for tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine?
The canonical SMILES for tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine is [H]/N=C1\CC2CC=CC=C2C=CC2CC=CC=C12.
What is the InChIKey of tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine?
The InChIKey is NGUAHVRZEOHMQA-WREUFWCNSA-N. The full InChI is InChI=1S/C16H17N/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-5,8-10,13-14,17H,6-7,11H2/b10-9?,17-16+.
What are the key properties of tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine?
tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine has a molecular weight of 223.32 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine is sourced from PubChem (CID 56995744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).