(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride

C18H29FN2 — CID 143857332

IUPAC(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride
SMILESCC1=CC=CCC1.F.[H]/N=C/C1=C(N)C=C2CCC[C@@]2(C)C1.[H][H]
InChIInChI=1S/C11H16N2.C7H10.FH.H2/c1-11-4-2-3-9(11)5-10(13)8(6-11)7-12;1-7-5-3-2-4-6-7;;/h5,7,12H,2-4,6,13H2,1H3;2-3,5H,4,6H2,1H3;2*1H/b12-7+;;;/t11-;;;/m0.../s1
InChIKeyYGBNKHSLVAHMGM-UCHKDSBJSA-N
MW292.44 g/mol
LogP5.05
Rot. Bonds1

About (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride

(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride (PubChem CID 143857332) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Name(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride
PubChem CID143857332
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride
SMILESCC1=CC=CCC1.F.[H]/N=C/C1=C(N)C=C2CCC[C@@]2(C)C1.[H][H]
InChIInChI=1S/C11H16N2.C7H10.FH.H2/c1-11-4-2-3-9(11)5-10(13)8(6-11)7-12;1-7-5-3-2-4-6-7;;/h5,7,12H,2-4,6,13H2,1H3;2-3,5H,4,6H2,1H3;2*1H/b12-7+;;;/t11-;;;/m0.../s1
InChIKeyYGBNKHSLVAHMGM-UCHKDSBJSA-N
XLogP5.05
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-(3-iminoprop-1-en-2-yl)-2,4,4-trimethyl-3-(2-methylbutylidene)cyclohexa-1,5-dien-1-amine
CID 169688819
(3Z)-3-ethylidene-5-(3-ethyliminoprop-1-en-2-yl)-2,4,4-trimethylcyclohexa-1,5-dien-1-amine
CID 169688822
(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine
CID 170236994
(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 170268876
(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
CID 143857333

Frequently Asked Questions

What is the IUPAC name of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride?
The IUPAC name of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride (CID 143857332) is (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride.
What is the SMILES notation for (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride?
The canonical SMILES for (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride is CC1=CC=CCC1.F.[H]/N=C/C1=C(N)C=C2CCC[C@@]2(C)C1.[H][H].
What is the InChIKey of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride?
The InChIKey is YGBNKHSLVAHMGM-UCHKDSBJSA-N. The full InChI is InChI=1S/C11H16N2.C7H10.FH.H2/c1-11-4-2-3-9(11)5-10(13)8(6-11)7-12;1-7-5-3-2-4-6-7;;/h5,7,12H,2-4,6,13H2,1H3;2-3,5H,4,6H2,1H3;2*1H/b12-7+;;;/t11-;;;/m0.../s1.
What are the key properties of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride?
(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride has a molecular weight of 292.44 g/mol, XLogP of 5.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 143857332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).