2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine

C11H17N3 — CID 134292011

IUPAC2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine
SMILES[H]/N=C/C1=C(N(C)C)C=CC(C)(C)C=N1
InChIInChI=1S/C11H17N3/c1-11(2)6-5-10(14(3)4)9(7-12)13-8-11/h5-8,12H,1-4H3/b12-7+
InChIKeyWFGWECPUGJJTBG-KPKJPENVSA-N
MW191.28 g/mol
LogP2.08
Rot. Bonds2

About 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine

2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine (PubChem CID 134292011) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine.

Molecular Properties

Compound Name2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine
PubChem CID134292011
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine
SMILES[H]/N=C/C1=C(N(C)C)C=CC(C)(C)C=N1
InChIInChI=1S/C11H17N3/c1-11(2)6-5-10(14(3)4)9(7-12)13-8-11/h5-8,12H,1-4H3/b12-7+
InChIKeyWFGWECPUGJJTBG-KPKJPENVSA-N
XLogP2.08
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine?
The IUPAC name of 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine (CID 134292011) is 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine.
What is the SMILES notation for 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine?
The canonical SMILES for 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine is [H]/N=C/C1=C(N(C)C)C=CC(C)(C)C=N1.
What is the InChIKey of 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine?
The InChIKey is WFGWECPUGJJTBG-KPKJPENVSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2)6-5-10(14(3)4)9(7-12)13-8-11/h5-8,12H,1-4H3/b12-7+.
What are the key properties of 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine?
2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine is sourced from PubChem (CID 134292011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).