N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine

C13H16N2 — CID 98119288

IUPACN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
SMILESC1=C[C@H]2C[C@H]1C[C@H]2CNc1cccnc1
InChIInChI=1S/C13H16N2/c1-2-13(9-14-5-1)15-8-12-7-10-3-4-11(12)6-10/h1-5,9-12,15H,6-8H2/t10-,11-,12-/m0/s1
InChIKeyNBNCOWRILUEMII-SRVKXCTJSA-N
MW200.28 g/mol
LogP2.71
Rot. Bonds3

About N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine (PubChem CID 98119288) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
PubChem CID98119288
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
SMILESC1=C[C@H]2C[C@H]1C[C@H]2CNc1cccnc1
InChIInChI=1S/C13H16N2/c1-2-13(9-14-5-1)15-8-12-7-10-3-4-11(12)6-10/h1-5,9-12,15H,6-8H2/t10-,11-,12-/m0/s1
InChIKeyNBNCOWRILUEMII-SRVKXCTJSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine?
The IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine (CID 98119288) is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine is C1=C[C@H]2C[C@H]1C[C@H]2CNc1cccnc1.
What is the InChIKey of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine?
The InChIKey is NBNCOWRILUEMII-SRVKXCTJSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-13(9-14-5-1)15-8-12-7-10-3-4-11(12)6-10/h1-5,9-12,15H,6-8H2/t10-,11-,12-/m0/s1.
What are the key properties of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine?
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine has a molecular weight of 200.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine is sourced from PubChem (CID 98119288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).