(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine

C15H19N — CID 102006219

IUPAC(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine
SMILESN[C@@H]1C[C@@H]2C[C@@H]1[C@@H](/C=C/c1ccccc1)C2
InChIInChI=1S/C15H19N/c16-15-10-12-8-13(14(15)9-12)7-6-11-4-2-1-3-5-11/h1-7,12-15H,8-10,16H2/b7-6+/t12-,13-,14+,15+/m0/s1
InChIKeyMGFIISDTOBSGES-MTHZGQEKSA-N
MW213.32 g/mol
LogP3.07
Rot. Bonds2

About (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine

(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 102006219) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID102006219
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine
SMILESN[C@@H]1C[C@@H]2C[C@@H]1[C@@H](/C=C/c1ccccc1)C2
InChIInChI=1S/C15H19N/c16-15-10-12-8-13(14(15)9-12)7-6-11-4-2-1-3-5-11/h1-7,12-15H,8-10,16H2/b7-6+/t12-,13-,14+,15+/m0/s1
InChIKeyMGFIISDTOBSGES-MTHZGQEKSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
[(1R,2S,3S)-2-(hydroxymethyl)-3-[(E)-2-phenylethenyl]cyclopentyl]methanol
CID 166936172
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
CID 135351315
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene
CID 166071874
[3-benzoyloxy-5-[(E)-2-phenylethenyl]-2-bicyclo[2.2.2]octanyl] benzoate
CID 170939262
(E)-2-phenylethenamine;silane
CID 173101301
2-phenylethenamine;hydrobromide
CID 175408568
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
(3aS,4S,6R,6aR)-6-ethenyl-2-phenyl-4-[(Z)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 162435839

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine (CID 102006219) is (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine is N[C@@H]1C[C@@H]2C[C@@H]1[C@@H](/C=C/c1ccccc1)C2.
What is the InChIKey of (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MGFIISDTOBSGES-MTHZGQEKSA-N. The full InChI is InChI=1S/C15H19N/c16-15-10-12-8-13(14(15)9-12)7-6-11-4-2-1-3-5-11/h1-7,12-15H,8-10,16H2/b7-6+/t12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,6R)-6-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 102006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).