7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H23NO — CID 115906316

IUPAC7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C13H23NO/c1-5-6-9(2)14-11-10-7-8-15-12(10)13(11,3)4/h5,9-12,14H,1,6-8H2,2-4H3
InChIKeyWWOBWCXOMJXRIU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.35
Rot. Bonds4

About 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 115906316) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID115906316
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C13H23NO/c1-5-6-9(2)14-11-10-7-8-15-12(10)13(11,3)4/h5,9-12,14H,1,6-8H2,2-4H3
InChIKeyWWOBWCXOMJXRIU-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863914
N-(1-cyclopropylpropan-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862875
7,7-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864093
7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863919
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
7,7-dimethyl-N-(2-prop-2-enylsulfanylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906269
N-[1-(furan-2-yl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863690
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
N-[1-(2-chlorophenyl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864659
methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate
CID 64865063

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 115906316) is 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine is C=CCC(C)NC1C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is WWOBWCXOMJXRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-9(2)14-11-10-7-8-15-12(10)13(11,3)4/h5,9-12,14H,1,6-8H2,2-4H3.
What are the key properties of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 209.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 115906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).