N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C14H25NO2 — CID 64863341

IUPACN-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC1CCCC1NC1C2CCOC2C1(C)C
InChIInChI=1S/C14H25NO2/c1-14(2)12(9-7-8-17-13(9)14)15-10-5-4-6-11(10)16-3/h9-13,15H,4-8H2,1-3H3
InChIKeyUCVBSJWTXSHBSF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds3

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

N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863341) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863341
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC1CCCC1NC1C2CCOC2C1(C)C
InChIInChI=1S/C14H25NO2/c1-14(2)12(9-7-8-17-13(9)14)15-10-5-4-6-11(10)16-3/h9-13,15H,4-8H2,1-3H3
InChIKeyUCVBSJWTXSHBSF-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
CID 115923383
N-(2-ethylcyclohexyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862846
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
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)hydroxylamine
CID 82685302
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864668
7,7-dimethyl-N-[(3-methylcyclohexyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103883975
tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
CID 107237597
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
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-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863341) is N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COC1CCCC1NC1C2CCOC2C1(C)C.
What is the InChIKey of N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is UCVBSJWTXSHBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)12(9-7-8-17-13(9)14)15-10-5-4-6-11(10)16-3/h9-13,15H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 239.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).