N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C16H29NO — CID 80714379

IUPACN-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCC1CCCC(NC2CC3CCC2O3)CC1
InChIInChI=1S/C16H29NO/c1-2-4-12-5-3-6-13(8-7-12)17-15-11-14-9-10-16(15)18-14/h12-17H,2-11H2,1H3
InChIKeyROPZIDKOGMZZLW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.64
Rot. Bonds4

About N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80714379) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80714379
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCC1CCCC(NC2CC3CCC2O3)CC1
InChIInChI=1S/C16H29NO/c1-2-4-12-5-3-6-13(8-7-12)17-15-11-14-9-10-16(15)18-14/h12-17H,2-11H2,1H3
InChIKeyROPZIDKOGMZZLW-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80714379) is N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CCCC1CCCC(NC2CC3CCC2O3)CC1.
What is the InChIKey of N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is ROPZIDKOGMZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-4-12-5-3-6-13(8-7-12)17-15-11-14-9-10-16(15)18-14/h12-17H,2-11H2,1H3.
What are the key properties of N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcycloheptyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80714379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).