5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide

C14H19N3 — CID 147953456

IUPAC5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide
SMILES[H]/N=C(\N=C\CC)c1ccc2c(c1)CCCC2N
InChIInChI=1S/C14H19N3/c1-2-8-17-14(16)11-6-7-12-10(9-11)4-3-5-13(12)15/h6-9,13,16H,2-5,15H2,1H3/b16-14-,17-8+
InChIKeyZWGMVYDVSMLDMD-JINCNPGMSA-N
MW229.33 g/mol
LogP2.83
Rot. Bonds2

About 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide

5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide (PubChem CID 147953456) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide.

Molecular Properties

Compound Name5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide
PubChem CID147953456
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide
SMILES[H]/N=C(\N=C\CC)c1ccc2c(c1)CCCC2N
InChIInChI=1S/C14H19N3/c1-2-8-17-14(16)11-6-7-12-10(9-11)4-3-5-13(12)15/h6-9,13,16H,2-5,15H2,1H3/b16-14-,17-8+
InChIKeyZWGMVYDVSMLDMD-JINCNPGMSA-N
XLogP2.83
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide?
The IUPAC name of 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide (CID 147953456) is 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide.
What is the SMILES notation for 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide?
The canonical SMILES for 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide is [H]/N=C(\N=C\CC)c1ccc2c(c1)CCCC2N.
What is the InChIKey of 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide?
The InChIKey is ZWGMVYDVSMLDMD-JINCNPGMSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-8-17-14(16)11-6-7-12-10(9-11)4-3-5-13(12)15/h6-9,13,16H,2-5,15H2,1H3/b16-14-,17-8+.
What are the key properties of 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide?
5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide has a molecular weight of 229.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propylidene-5,6,7,8-tetrahydronaphthalene-2-carboximidamide is sourced from PubChem (CID 147953456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).