5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine

C13H23N — CID 79590034

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCC1CC2CCC1C2
InChIInChI=1S/C13H23N/c1-14-8-4-2-3-5-12-9-11-6-7-13(12)10-11/h2-3,11-14H,4-10H2,1H3
InChIKeyIJRRKQDVXLYWJU-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.98
Rot. Bonds5

About 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine

5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine (PubChem CID 79590034) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine
PubChem CID79590034
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine
SMILESCNCCC=CCC1CC2CCC1C2
InChIInChI=1S/C13H23N/c1-14-8-4-2-3-5-12-9-11-6-7-13(12)10-11/h2-3,11-14H,4-10H2,1H3
InChIKeyIJRRKQDVXLYWJU-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-N'-propylethane-1,2-diamine
CID 79551627
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine (CID 79590034) is 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine is CNCCC=CCC1CC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine?
The InChIKey is IJRRKQDVXLYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-14-8-4-2-3-5-12-9-11-6-7-13(12)10-11/h2-3,11-14H,4-10H2,1H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine?
5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-N-methylpent-3-en-1-amine is sourced from PubChem (CID 79590034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).