2-bicyclo[2.2.1]hept-5-enylmethanamine;methane

C9H17N — CID 169244944

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
SMILESC.NCC1CC2C=CC1C2
InChIInChI=1S/C8H13N.CH4/c9-5-8-4-6-1-2-7(8)3-6;/h1-2,6-8H,3-5,9H2;1H4
InChIKeyNVUXPQHRAQHPLZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.79
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane

2-bicyclo[2.2.1]hept-5-enylmethanamine;methane (PubChem CID 169244944) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
PubChem CID169244944
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
SMILESC.NCC1CC2C=CC1C2
InChIInChI=1S/C8H13N.CH4/c9-5-8-4-6-1-2-7(8)3-6;/h1-2,6-8H,3-5,9H2;1H4
InChIKeyNVUXPQHRAQHPLZ-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 44889483
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
CID 123207984
CID 123207984
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
CID 59717872
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride
CID 158425576
2-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane (CID 169244944) is 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane is C.NCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane?
The InChIKey is NVUXPQHRAQHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.CH4/c9-5-8-4-6-1-2-7(8)3-6;/h1-2,6-8H,3-5,9H2;1H4.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane?
2-bicyclo[2.2.1]hept-5-enylmethanamine;methane has a molecular weight of 139.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanamine;methane is sourced from PubChem (CID 169244944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).