N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine

C11H19N — CID 14921525

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine
SMILESCCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H19N/c1-2-5-12-8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,2,5-8H2,1H3
InChIKeyOYVMOUMQNRSHFS-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine (PubChem CID 14921525) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine
PubChem CID14921525
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine
SMILESCCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H19N/c1-2-5-12-8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,2,5-8H2,1H3
InChIKeyOYVMOUMQNRSHFS-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine (CID 14921525) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine is CCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine?
The InChIKey is OYVMOUMQNRSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-5-12-8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,2,5-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propan-1-amine is sourced from PubChem (CID 14921525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).