N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine

C15H26N2 — CID 54967666

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine
SMILESC1=CC2CC1CC2CNCCN1CCCCC1
InChIInChI=1S/C15H26N2/c1-2-7-17(8-3-1)9-6-16-12-15-11-13-4-5-14(15)10-13/h4-5,13-16H,1-3,6-12H2
InChIKeyMRKJVRGGZULNNI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.27
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine (PubChem CID 54967666) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine
PubChem CID54967666
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine
SMILESC1=CC2CC1CC2CNCCN1CCCCC1
InChIInChI=1S/C15H26N2/c1-2-7-17(8-3-1)9-6-16-12-15-11-13-4-5-14(15)10-13/h4-5,13-16H,1-3,6-12H2
InChIKeyMRKJVRGGZULNNI-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-piperidin-1-ylethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine (CID 54967666) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine is C1=CC2CC1CC2CNCCN1CCCCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine?
The InChIKey is MRKJVRGGZULNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-7-17(8-3-1)9-6-16-12-15-11-13-4-5-14(15)10-13/h4-5,13-16H,1-3,6-12H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine has a molecular weight of 234.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 54967666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).