5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine

C16H25N3O — CID 65295488

IUPAC5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)nc2)C12CCC2
InChIInChI=1S/C16H25N3O/c1-4-20-14-10-13(16(14)8-5-9-16)18-12-6-7-15(17-11-12)19(2)3/h6-7,11,13-14,18H,4-5,8-10H2,1-3H3
InChIKeyDSQBBHSDAVDJEW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.91
Rot. Bonds5

About 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 65295488) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID65295488
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCCOC1CC(Nc2ccc(N(C)C)nc2)C12CCC2
InChIInChI=1S/C16H25N3O/c1-4-20-14-10-13(16(14)8-5-9-16)18-12-6-7-15(17-11-12)19(2)3/h6-7,11,13-14,18H,4-5,8-10H2,1-3H3
InChIKeyDSQBBHSDAVDJEW-UHFFFAOYSA-N
XLogP2.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 65295488) is 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine is CCOC1CC(Nc2ccc(N(C)C)nc2)C12CCC2.
What is the InChIKey of 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is DSQBBHSDAVDJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-20-14-10-13(16(14)8-5-9-16)18-12-6-7-15(17-11-12)19(2)3/h6-7,11,13-14,18H,4-5,8-10H2,1-3H3.
What are the key properties of 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 65295488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).