8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide

C20H25N3O — CID 70204343

IUPAC8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide
SMILESNC(=O)C1CCCC12CCN(c1cc3ccccc3cc1N)CC2
InChIInChI=1S/C20H25N3O/c21-17-12-14-4-1-2-5-15(14)13-18(17)23-10-8-20(9-11-23)7-3-6-16(20)19(22)24/h1-2,4-5,12-13,16H,3,6-11,21H2,(H2,22,24)
InChIKeySRWTWVKWHJNQIH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.29
Rot. Bonds2

About 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide

8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide (PubChem CID 70204343) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide
PubChem CID70204343
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide
SMILESNC(=O)C1CCCC12CCN(c1cc3ccccc3cc1N)CC2
InChIInChI=1S/C20H25N3O/c21-17-12-14-4-1-2-5-15(14)13-18(17)23-10-8-20(9-11-23)7-3-6-16(20)19(22)24/h1-2,4-5,12-13,16H,3,6-11,21H2,(H2,22,24)
InChIKeySRWTWVKWHJNQIH-UHFFFAOYSA-N
XLogP3.29
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 17986058
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 53233936
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CID 86649630
N-[2-amino-5-(4-fluorophenyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 89158744

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide (CID 70204343) is 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide is NC(=O)C1CCCC12CCN(c1cc3ccccc3cc1N)CC2.
What is the InChIKey of 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is SRWTWVKWHJNQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-17-12-14-4-1-2-5-15(14)13-18(17)23-10-8-20(9-11-23)7-3-6-16(20)19(22)24/h1-2,4-5,12-13,16H,3,6-11,21H2,(H2,22,24).
What are the key properties of 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide?
8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminonaphthalen-2-yl)-8-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 70204343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).