N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C14H25NO2 — CID 103922074

IUPACN-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C14H25NO2/c1-4-5-8-16-10-7-15-12-11-6-9-17-13(11)14(12,2)3/h4,11-13,15H,1,5-10H2,2-3H3
InChIKeyAWPITEYIXLVVSF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.98
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 103922074) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID103922074
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C14H25NO2/c1-4-5-8-16-10-7-15-12-11-6-9-17-13(11)14(12,2)3/h4,11-13,15H,1,5-10H2,2-3H3
InChIKeyAWPITEYIXLVVSF-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.98
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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Related Compounds

N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862723
N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862758
N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862763
N-(3-ethenoxypropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863488
N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863522
7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863716
N-(1-methoxybutan-2-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864116
N-(1-methoxypentan-2-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864309
N-(1-ethoxypropan-2-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864887
N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865082
7,7-dimethyl-N-(oxan-3-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865282
7,7-dimethyl-N-[2-(3-methylbutoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865661

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 103922074) is N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is C=CCCOCCNC1C2CCOC2C1(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is AWPITEYIXLVVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-8-16-10-7-15-12-11-6-9-17-13(11)14(12,2)3/h4,11-13,15H,1,5-10H2,2-3H3.
What are the key properties of N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 239.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 103922074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).