5-(azepan-1-yl)-2,2-dimethylpentanimidamide

C13H27N3 — CID 65258804

IUPAC5-(azepan-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCCCC1
InChIInChI=1S/C13H27N3/c1-13(2,12(14)15)8-7-11-16-9-5-3-4-6-10-16/h3-11H2,1-2H3,(H3,14,15)
InChIKeyVOWYHHNSFLZGPL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.60
Rot. Bonds5

About 5-(azepan-1-yl)-2,2-dimethylpentanimidamide

5-(azepan-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 65258804) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-(azepan-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-2,2-dimethylpentanimidamide
PubChem CID65258804
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name5-(azepan-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCCCC1
InChIInChI=1S/C13H27N3/c1-13(2,12(14)15)8-7-11-16-9-5-3-4-6-10-16/h3-11H2,1-2H3,(H3,14,15)
InChIKeyVOWYHHNSFLZGPL-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
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 5-(azepan-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(azepan-1-yl)-2,2-dimethylpentanimidamide (CID 65258804) is 5-(azepan-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(azepan-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(azepan-1-yl)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCCCC1.
What is the InChIKey of 5-(azepan-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is VOWYHHNSFLZGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,12(14)15)8-7-11-16-9-5-3-4-6-10-16/h3-11H2,1-2H3,(H3,14,15).
What are the key properties of 5-(azepan-1-yl)-2,2-dimethylpentanimidamide?
5-(azepan-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).