N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C14H23NO — CID 115886354

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC1CC2CC1CC2NCC1CC2CCC1O2
InChIInChI=1S/C14H23NO/c1-2-10-5-9(1)6-13(10)15-8-11-7-12-3-4-14(11)16-12/h9-15H,1-8H2
InChIKeyBJYXPFNSLVOYQS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.33
Rot. Bonds3

About N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115886354) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115886354
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESC1CC2CC1CC2NCC1CC2CCC1O2
InChIInChI=1S/C14H23NO/c1-2-10-5-9(1)6-13(10)15-8-11-7-12-3-4-14(11)16-12/h9-15H,1-8H2
InChIKeyBJYXPFNSLVOYQS-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129435254
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
(2R,3S,4S,5R)-2-[[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585251
trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
CID 115720038
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyloxolan-3-amine
CID 115337616
N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 21444290
N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115886340
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 115886354) is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is C1CC2CC1CC2NCC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BJYXPFNSLVOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-10-5-9(1)6-13(10)15-8-11-7-12-3-4-14(11)16-12/h9-15H,1-8H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115886354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).