N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine

C13H23NO — CID 115337616

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-9-13(4-5-15-9)14-8-12-7-10-2-3-11(12)6-10/h9-14H,2-8H2,1H3
InChIKeyDWJIBMYKDBGVMI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine (PubChem CID 115337616) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
PubChem CID115337616
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-9-13(4-5-15-9)14-8-12-7-10-2-3-11(12)6-10/h9-14H,2-8H2,1H3
InChIKeyDWJIBMYKDBGVMI-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-ethyloxolan-3-yl)methanamine
CID 114105593
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 114123275
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
N-(2-bicyclo[2.2.1]heptanylmethyl)thian-4-amine
CID 62734121
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]oxolan-3-amine
CID 75525404
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethylpiperidin-4-amine
CID 55232032

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine (CID 115337616) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine is CC1OCCC1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine?
The InChIKey is DWJIBMYKDBGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-13(4-5-15-9)14-8-12-7-10-2-3-11(12)6-10/h9-14H,2-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 115337616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).