N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H21NO — CID 115906207

IUPACN-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2CC=CC2)C2CCOC21
InChIInChI=1S/C13H21NO/c1-13(2)11(10-7-8-15-12(10)13)14-9-5-3-4-6-9/h3-4,9-12,14H,5-8H2,1-2H3
InChIKeyGUTOHNNPUNYEEM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds2

About N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 115906207) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID115906207
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2CC=CC2)C2CCOC21
InChIInChI=1S/C13H21NO/c1-13(2)11(10-7-8-15-12(10)13)14-9-5-3-4-6-9/h3-4,9-12,14H,5-8H2,1-2H3
InChIKeyGUTOHNNPUNYEEM-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
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

N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
CID 115923383
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine
CID 64863107
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one
CID 64865284
N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864668
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86787442
N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863341
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 64865640
7,7-dimethyl-N-(4-methylphenyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870061

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 115906207) is N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NC2CC=CC2)C2CCOC21.
What is the InChIKey of N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is GUTOHNNPUNYEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)11(10-7-8-15-12(10)13)14-9-5-3-4-6-9/h3-4,9-12,14H,5-8H2,1-2H3.
What are the key properties of N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 115906207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).