N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide

C11H17N3 — CID 126584530

IUPACN'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C1=NC=CC(C)(C)C=C1
InChIInChI=1S/C11H17N3/c1-11(2)6-5-10(12-8-7-11)13-9-14(3)4/h5-9H,1-4H3/b13-9+
InChIKeyKKSWTJUJFNWFFR-UKTHLTGXSA-N
MW191.28 g/mol
LogP2.08
Rot. Bonds1

About N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide

N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 126584530) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID126584530
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/C1=NC=CC(C)(C)C=C1
InChIInChI=1S/C11H17N3/c1-11(2)6-5-10(12-8-7-11)13-9-14(3)4/h5-9H,1-4H3/b13-9+
InChIKeyKKSWTJUJFNWFFR-UKTHLTGXSA-N
XLogP2.08
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide (CID 126584530) is N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/C1=NC=CC(C)(C)C=C1.
What is the InChIKey of N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is KKSWTJUJFNWFFR-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2)6-5-10(12-8-7-11)13-9-14(3)4/h5-9H,1-4H3/b13-9+.
What are the key properties of N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide?
N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 191.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 126584530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).