1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine

C13H23N — CID 104987755

IUPAC1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1CC2CCC1C2
InChIInChI=1S/C13H23N/c1-2-3-4-13(14)9-12-8-10-5-6-11(12)7-10/h2,10-13H,1,3-9,14H2
InChIKeyOYZHRIFQAXGNGG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine

1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine (PubChem CID 104987755) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
PubChem CID104987755
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1CC2CCC1C2
InChIInChI=1S/C13H23N/c1-2-3-4-13(14)9-12-8-10-5-6-11(12)7-10/h2,10-13H,1,3-9,14H2
InChIKeyOYZHRIFQAXGNGG-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.11
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

1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-amine
CID 105037583
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
CID 103516898
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanylpropan-2-amine
CID 79562079

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine (CID 104987755) is 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine is C=CCCC(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine?
The InChIKey is OYZHRIFQAXGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-13(14)9-12-8-10-5-6-11(12)7-10/h2,10-13H,1,3-9,14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine is sourced from PubChem (CID 104987755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).