N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine

C13H25NO — CID 80715916

IUPACN-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CC)NC1CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-3-5-6-10(4-2)14-12-9-11-7-8-13(12)15-11/h10-14H,3-9H2,1-2H3
InChIKeySFVSBGKCCOBXTC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.86
Rot. Bonds6

About N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine

N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80715916) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80715916
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CC)NC1CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-3-5-6-10(4-2)14-12-9-11-7-8-13(12)15-11/h10-14H,3-9H2,1-2H3
InChIKeySFVSBGKCCOBXTC-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80715916) is N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine is CCCCC(CC)NC1CC2CCC1O2.
What is the InChIKey of N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is SFVSBGKCCOBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-10(4-2)14-12-9-11-7-8-13(12)15-11/h10-14H,3-9H2,1-2H3.
What are the key properties of N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine?
N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80715916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).