4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide

C14H29N3O — CID 77064513

IUPAC4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC1(C)CCCN(CCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-13(2)6-5-9-17(10-7-13)11-8-14(3,4)12(15)16-18/h18H,5-11H2,1-4H3,(H2,15,16)
InChIKeyWWFPHYFOPKIYGP-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.66
Rot. Bonds4

About 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77064513) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77064513
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC1(C)CCCN(CCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-13(2)6-5-9-17(10-7-13)11-8-14(3,4)12(15)16-18/h18H,5-11H2,1-4H3,(H2,15,16)
InChIKeyWWFPHYFOPKIYGP-UHFFFAOYSA-N
XLogP2.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4,4-dimethylazepan-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369912
4-(Azepan-1-yl)-2,2-dimethylbutanimidamide
CID 65251112
4-(4-Ethylazepan-1-yl)-2,2-dimethylbutanimidamide
CID 65252356
2,2-Dimethyl-4-(4-propylazepan-1-yl)butanimidamide
CID 65252408
2,2-Dimethyl-4-(4-propan-2-ylazepan-1-yl)butanimidamide
CID 65252457
2,2-Dimethyl-4-(4-methylazepan-1-yl)butanimidamide
CID 65252556
5-(4-Ethylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258193
2,2-Dimethyl-5-(4-methylazepan-1-yl)pentanimidamide
CID 65258386
5-(Azepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258804
5-(4,4-Dimethylazepan-1-yl)pentanimidamide
CID 65280855
5-(4,4-Dimethylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65280903
4-(4,4-Dimethylazepan-1-yl)-2,2-dimethylbutanimidamide
CID 65281443

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77064513) is 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide is CC1(C)CCCN(CCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is WWFPHYFOPKIYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-13(2)6-5-9-17(10-7-13)11-8-14(3,4)12(15)16-18/h18H,5-11H2,1-4H3,(H2,15,16).
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77064513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).