2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide

C16H24N2O — CID 65252108

IUPAC2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC1CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,15(17)18)10-11-19-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H3,17,18)
InChIKeyQVPMSGPGLQFXOM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.43
Rot. Bonds5

About 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide

2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide (PubChem CID 65252108) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
PubChem CID65252108
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOC1CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,15(17)18)10-11-19-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H3,17,18)
InChIKeyQVPMSGPGLQFXOM-UHFFFAOYSA-N
XLogP3.43
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.43
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

N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 77062747
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride
CID 119787376
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylbutanoate
CID 58341708
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide
CID 106711929

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
The IUPAC name of 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide (CID 65252108) is 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide is [H]/N=C(\N)C(C)(C)CCOC1CCCc2ccccc21.
What is the InChIKey of 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
The InChIKey is QVPMSGPGLQFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,15(17)18)10-11-19-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide has a molecular weight of 260.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide is sourced from PubChem (CID 65252108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).