6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine

C11H20N6 — CID 163768656

IUPAC6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine
SMILES[H]/N=C1\C=C2C=C(N)CC(N)(N)C2C(N)(NC)C1
InChIInChI=1S/C11H20N6/c1-17-11(16)5-8(13)3-6-2-7(12)4-10(14,15)9(6)11/h2-3,9,13,17H,4-5,12,14-16H2,1H3/b13-8+
InChIKeyMENQTMLEWRWABG-MDWZMJQESA-N
MW236.32 g/mol
LogP-1.31
Rot. Bonds1

About 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine

6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine (PubChem CID 163768656) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine.

Molecular Properties

Compound Name6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine
PubChem CID163768656
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine
SMILES[H]/N=C1\C=C2C=C(N)CC(N)(N)C2C(N)(NC)C1
InChIInChI=1S/C11H20N6/c1-17-11(16)5-8(13)3-6-2-7(12)4-10(14,15)9(6)11/h2-3,9,13,17H,4-5,12,14-16H2,1H3/b13-8+
InChIKeyMENQTMLEWRWABG-MDWZMJQESA-N
XLogP-1.31
TPSA139.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.32
LogP ≤ 5-1.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine?
The IUPAC name of 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine (CID 163768656) is 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine.
What is the SMILES notation for 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine?
The canonical SMILES for 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine is [H]/N=C1\C=C2C=C(N)CC(N)(N)C2C(N)(NC)C1.
What is the InChIKey of 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine?
The InChIKey is MENQTMLEWRWABG-MDWZMJQESA-N. The full InChI is InChI=1S/C11H20N6/c1-17-11(16)5-8(13)3-6-2-7(12)4-10(14,15)9(6)11/h2-3,9,13,17H,4-5,12,14-16H2,1H3/b13-8+.
What are the key properties of 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine?
6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine has a molecular weight of 236.32 g/mol, XLogP of -1.31, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-8-N'-methyl-7,8a-dihydro-2H-naphthalene-1,1,3,8,8-pentamine is sourced from PubChem (CID 163768656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).