N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine

C15H25N — CID 155064336

IUPACN-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine
SMILESC=C(C/N=C(\C)CCC)C12CCC(CC1)C2
InChIInChI=1S/C15H25N/c1-4-5-13(3)16-11-12(2)15-8-6-14(10-15)7-9-15/h14H,2,4-11H2,1,3H3/b16-13+
InChIKeyDFLLSBDZLKLHIQ-DTQAZKPQSA-N
MW219.37 g/mol
LogP4.38
Rot. Bonds5

About N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine

N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine (PubChem CID 155064336) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine.

Molecular Properties

Compound NameN-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine
PubChem CID155064336
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine
SMILESC=C(C/N=C(\C)CCC)C12CCC(CC1)C2
InChIInChI=1S/C15H25N/c1-4-5-13(3)16-11-12(2)15-8-6-14(10-15)7-9-15/h14H,2,4-11H2,1,3H3/b16-13+
InChIKeyDFLLSBDZLKLHIQ-DTQAZKPQSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine?
The IUPAC name of N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine (CID 155064336) is N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine.
What is the SMILES notation for N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine?
The canonical SMILES for N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine is C=C(C/N=C(\C)CCC)C12CCC(CC1)C2.
What is the InChIKey of N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine?
The InChIKey is DFLLSBDZLKLHIQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-13(3)16-11-12(2)15-8-6-14(10-15)7-9-15/h14H,2,4-11H2,1,3H3/b16-13+.
What are the key properties of N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine?
N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine has a molecular weight of 219.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bicyclo[2.2.1]heptanyl)prop-2-enyl]pentan-2-imine is sourced from PubChem (CID 155064336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).