5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide

C17H35N3 — CID 65258244

IUPAC5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N3/c1-16(2,3)14-8-6-11-20(13-9-14)12-7-10-17(4,5)15(18)19/h14H,6-13H2,1-5H3,(H3,18,19)
InChIKeyPXCXZGGWVXPTII-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.88
Rot. Bonds5

About 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide

5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 65258244) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
PubChem CID65258244
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N3/c1-16(2,3)14-8-6-11-20(13-9-14)12-7-10-17(4,5)15(18)19/h14H,6-13H2,1-5H3,(H3,18,19)
InChIKeyPXCXZGGWVXPTII-UHFFFAOYSA-N
XLogP3.88
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.88
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-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide (CID 65258244) is 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is PXCXZGGWVXPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)14-8-6-11-20(13-9-14)12-7-10-17(4,5)15(18)19/h14H,6-13H2,1-5H3,(H3,18,19).
What are the key properties of 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide?
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 281.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).