5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine

C15H23N3 — CID 104534658

IUPAC5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
SMILESCNc1cncc(N(C)CC2CC3CCC2C3)c1
InChIInChI=1S/C15H23N3/c1-16-14-7-15(9-17-8-14)18(2)10-13-6-11-3-4-12(13)5-11/h7-9,11-13,16H,3-6,10H2,1-2H3
InChIKeyNVAGOIMJVPNPFM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.00
Rot. Bonds4

About 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine

5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine (PubChem CID 104534658) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
PubChem CID104534658
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
SMILESCNc1cncc(N(C)CC2CC3CCC2C3)c1
InChIInChI=1S/C15H23N3/c1-16-14-7-15(9-17-8-14)18(2)10-13-6-11-3-4-12(13)5-11/h7-9,11-13,16H,3-6,10H2,1-2H3
InChIKeyNVAGOIMJVPNPFM-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine (CID 104534658) is 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine is CNc1cncc(N(C)CC2CC3CCC2C3)c1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
The InChIKey is NVAGOIMJVPNPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-16-14-7-15(9-17-8-14)18(2)10-13-6-11-3-4-12(13)5-11/h7-9,11-13,16H,3-6,10H2,1-2H3.
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine has a molecular weight of 245.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine is sourced from PubChem (CID 104534658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).