4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide

C18H28N2O — CID 70457360

IUPAC4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide
SMILESCCC/N=C(\NCCC)c1ccc(OC)c2c1CCCC2
InChIInChI=1S/C18H28N2O/c1-4-12-19-18(20-13-5-2)16-10-11-17(21-3)15-9-7-6-8-14(15)16/h10-11H,4-9,12-13H2,1-3H3,(H,19,20)
InChIKeyFYVOALMTYVNXSU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.73
Rot. Bonds6

About 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide

4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide (PubChem CID 70457360) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide.

Molecular Properties

Compound Name4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide
PubChem CID70457360
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide
SMILESCCC/N=C(\NCCC)c1ccc(OC)c2c1CCCC2
InChIInChI=1S/C18H28N2O/c1-4-12-19-18(20-13-5-2)16-10-11-17(21-3)15-9-7-6-8-14(15)16/h10-11H,4-9,12-13H2,1-3H3,(H,19,20)
InChIKeyFYVOALMTYVNXSU-UHFFFAOYSA-N
XLogP3.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide?
The IUPAC name of 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide (CID 70457360) is 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide.
What is the SMILES notation for 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide?
The canonical SMILES for 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide is CCC/N=C(\NCCC)c1ccc(OC)c2c1CCCC2.
What is the InChIKey of 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide?
The InChIKey is FYVOALMTYVNXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-12-19-18(20-13-5-2)16-10-11-17(21-3)15-9-7-6-8-14(15)16/h10-11H,4-9,12-13H2,1-3H3,(H,19,20).
What are the key properties of 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide?
4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide has a molecular weight of 288.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N'-dipropyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide is sourced from PubChem (CID 70457360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).