bicyclo[3.2.1]oct-3-en-6-amine

C8H13N — CID 154547394

IUPACbicyclo[3.2.1]oct-3-en-6-amine
SMILESNC1CC2CC=CC1C2
InChIInChI=1S/C8H13N/c9-8-5-6-2-1-3-7(8)4-6/h1,3,6-8H,2,4-5,9H2
InChIKeyNNTGNDHJOPSBJU-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.30
Rot. Bonds

About bicyclo[3.2.1]oct-3-en-6-amine

bicyclo[3.2.1]oct-3-en-6-amine (PubChem CID 154547394) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is bicyclo[3.2.1]oct-3-en-6-amine.

Molecular Properties

Compound Namebicyclo[3.2.1]oct-3-en-6-amine
PubChem CID154547394
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Namebicyclo[3.2.1]oct-3-en-6-amine
SMILESNC1CC2CC=CC1C2
InChIInChI=1S/C8H13N/c9-8-5-6-2-1-3-7(8)4-6/h1,3,6-8H,2,4-5,9H2
InChIKeyNNTGNDHJOPSBJU-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.30
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[3.2.1]oct-3-en-6-ol
CID 5314599
7-pentylbicyclo[3.2.1]oct-2-ene
CID 171097691
5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 14415243
3-iodocyclobutene
CID 88872191
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 11116010
cyclohex-4-ene-1,2-diamine;hydrochloride
CID 19043994
(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
CID 163198404
(1S)-5-methylcyclohex-3-en-1-amine
CID 175324553
tricyclo[4.3.0.02,4]non-7-ene
CID 154516658
bicyclo[3.3.1]non-6-en-3-one
CID 13113773
1,4,4a,7,8,8a-hexahydronaphthalen-1-amine
CID 67951587

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]oct-3-en-6-amine?
The IUPAC name of bicyclo[3.2.1]oct-3-en-6-amine (CID 154547394) is bicyclo[3.2.1]oct-3-en-6-amine.
What is the SMILES notation for bicyclo[3.2.1]oct-3-en-6-amine?
The canonical SMILES for bicyclo[3.2.1]oct-3-en-6-amine is NC1CC2CC=CC1C2.
What is the InChIKey of bicyclo[3.2.1]oct-3-en-6-amine?
The InChIKey is NNTGNDHJOPSBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c9-8-5-6-2-1-3-7(8)4-6/h1,3,6-8H,2,4-5,9H2.
What are the key properties of bicyclo[3.2.1]oct-3-en-6-amine?
bicyclo[3.2.1]oct-3-en-6-amine has a molecular weight of 123.20 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]oct-3-en-6-amine is sourced from PubChem (CID 154547394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).