5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide

C16H20N2O — CID 159127803

IUPAC5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(OCC(C)(C)C)cccc2c1
InChIInChI=1S/C16H20N2O/c1-16(2,3)10-19-14-6-4-5-11-9-12(15(17)18)7-8-13(11)14/h4-9H,10H2,1-3H3,(H3,17,18)
InChIKeyKXEURYYUHPOCDA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.55
Rot. Bonds3

About 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide

5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide (PubChem CID 159127803) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide
PubChem CID159127803
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(OCC(C)(C)C)cccc2c1
InChIInChI=1S/C16H20N2O/c1-16(2,3)10-19-14-6-4-5-11-9-12(15(17)18)7-8-13(11)14/h4-9H,10H2,1-3H3,(H3,17,18)
InChIKeyKXEURYYUHPOCDA-UHFFFAOYSA-N
XLogP3.55
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.55
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'}

Analyze 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrene-2-carboximidamide
CID 151524830
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
3-[(tert-butylamino)methyl]benzenecarboximidamide
CID 163795813
8-(iodoamino)naphthalene-2-carboximidamide
CID 142064804
4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794906
6-methoxynaphthalene-2-carboximidamide
CID 3274917
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
1-ethyl-2-benzofuran-5-carboximidamide
CID 70063763
methyl N-[(7-carbamimidoylnaphthalen-1-yl)methyl]carbamate
CID 74763858
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide?
The IUPAC name of 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide (CID 159127803) is 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide?
The canonical SMILES for 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2c(OCC(C)(C)C)cccc2c1.
What is the InChIKey of 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide?
The InChIKey is KXEURYYUHPOCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)10-19-14-6-4-5-11-9-12(15(17)18)7-8-13(11)14/h4-9H,10H2,1-3H3,(H3,17,18).
What are the key properties of 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide?
5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide has a molecular weight of 256.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide is sourced from PubChem (CID 159127803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).