(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine

C11H16N2 — CID 143857333

IUPAC(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
SMILES[H]/N=C/C1=C(N)C=C2CCC[C@@]2(C)C1
InChIInChI=1S/C11H16N2/c1-11-4-2-3-9(11)5-10(13)8(6-11)7-12/h5,7,12H,2-4,6,13H2,1H3/b12-7+/t11-/m0/s1
InChIKeyTXBYGEFRVKACQK-WBOGTDJTSA-N
MW176.26 g/mol
LogP2.37
Rot. Bonds1

About (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine

(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine (PubChem CID 143857333) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine.

Molecular Properties

Compound Name(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
PubChem CID143857333
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
SMILES[H]/N=C/C1=C(N)C=C2CCC[C@@]2(C)C1
InChIInChI=1S/C11H16N2/c1-11-4-2-3-9(11)5-10(13)8(6-11)7-12/h5,7,12H,2-4,6,13H2,1H3/b12-7+/t11-/m0/s1
InChIKeyTXBYGEFRVKACQK-WBOGTDJTSA-N
XLogP2.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine?
The IUPAC name of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine (CID 143857333) is (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine.
What is the SMILES notation for (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine?
The canonical SMILES for (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine is [H]/N=C/C1=C(N)C=C2CCC[C@@]2(C)C1.
What is the InChIKey of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine?
The InChIKey is TXBYGEFRVKACQK-WBOGTDJTSA-N. The full InChI is InChI=1S/C11H16N2/c1-11-4-2-3-9(11)5-10(13)8(6-11)7-12/h5,7,12H,2-4,6,13H2,1H3/b12-7+/t11-/m0/s1.
What are the key properties of (7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine?
(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine has a molecular weight of 176.26 g/mol, XLogP of 2.37, 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 is sourced from PubChem (CID 143857333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).