N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine

C15H25NO2 — CID 43226145

IUPACN-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCCOCC1CCCO1
InChIInChI=1S/C15H25NO2/c1-4-12-10-15(14(12)6-1)16-7-3-8-17-11-13-5-2-9-18-13/h1,6,12-16H,2-5,7-11H2
InChIKeyYKTSBIHRFYDVSE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.13
Rot. Bonds7

About N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43226145) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43226145
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCCOCC1CCCO1
InChIInChI=1S/C15H25NO2/c1-4-12-10-15(14(12)6-1)16-7-3-8-17-11-13-5-2-9-18-13/h1,6,12-16H,2-5,7-11H2
InChIKeyYKTSBIHRFYDVSE-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43226145) is N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCCCOCC1CCCO1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is YKTSBIHRFYDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-12-10-15(14(12)6-1)16-7-3-8-17-11-13-5-2-9-18-13/h1,6,12-16H,2-5,7-11H2.
What are the key properties of N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 251.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43226145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).