4-cycloheptyloxy-2,2-dimethylbutanimidamide

C13H26N2O — CID 65251287

IUPAC4-cycloheptyloxy-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,12(14)15)9-10-16-11-7-5-3-4-6-8-11/h11H,3-10H2,1-2H3,(H3,14,15)
InChIKeyAVALSKDUXYCHIZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.08
Rot. Bonds5

About 4-cycloheptyloxy-2,2-dimethylbutanimidamide

4-cycloheptyloxy-2,2-dimethylbutanimidamide (PubChem CID 65251287) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-cycloheptyloxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-cycloheptyloxy-2,2-dimethylbutanimidamide
PubChem CID65251287
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-cycloheptyloxy-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,12(14)15)9-10-16-11-7-5-3-4-6-8-11/h11H,3-10H2,1-2H3,(H3,14,15)
InChIKeyAVALSKDUXYCHIZ-UHFFFAOYSA-N
XLogP3.08
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.08
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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Related Compounds

4-cycloheptyloxy-2,2-dimethylbutanethioamide
CID 65247901
2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 65252108
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide
CID 106712451
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 65252580
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525
2,2-dimethyloctanimidamide
CID 58158153
propoxycyclooctane
CID 54078990
N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide
CID 63833468
2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide
CID 82788258
3-cycloheptyloxy-2-methylpropanimidamide
CID 114995552

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-cycloheptyloxy-2,2-dimethylbutanimidamide (CID 65251287) is 4-cycloheptyloxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-cycloheptyloxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-cycloheptyloxy-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCOC1CCCCCC1.
What is the InChIKey of 4-cycloheptyloxy-2,2-dimethylbutanimidamide?
The InChIKey is AVALSKDUXYCHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,12(14)15)9-10-16-11-7-5-3-4-6-8-11/h11H,3-10H2,1-2H3,(H3,14,15).
What are the key properties of 4-cycloheptyloxy-2,2-dimethylbutanimidamide?
4-cycloheptyloxy-2,2-dimethylbutanimidamide has a molecular weight of 226.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65251287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).