N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H23NO — CID 64872035

IUPACN-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2CCCC2)C2CCOC21
InChIInChI=1S/C13H23NO/c1-13(2)11(10-7-8-15-12(10)13)14-9-5-3-4-6-9/h9-12,14H,3-8H2,1-2H3
InChIKeyRWWDZVSKPHKNHH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds2

About N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64872035) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64872035
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NC2CCCC2)C2CCOC21
InChIInChI=1S/C13H23NO/c1-13(2)11(10-7-8-15-12(10)13)14-9-5-3-4-6-9/h9-12,14H,3-8H2,1-2H3
InChIKeyRWWDZVSKPHKNHH-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906207
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine
CID 64863107
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
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
N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863341
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
CID 115923383
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
N-[(1S)-1-cycloheptylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 81390910
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906414
7,7-dimethyl-N-[(1-methylcyclopentyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865667

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64872035) is N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NC2CCCC2)C2CCOC21.
What is the InChIKey of N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is RWWDZVSKPHKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2)11(10-7-8-15-12(10)13)14-9-5-3-4-6-9/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 209.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64872035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).