N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine

C13H23NO — CID 66039719

IUPACN-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1CC2CCC1O2
InChIInChI=1S/C13H23NO/c1-4-9(2)7-12(14-3)11-8-10-5-6-13(11)15-10/h10-14H,2,4-8H2,1,3H3
InChIKeyXRKCNPQGUFVLOG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine

N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine (PubChem CID 66039719) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine
PubChem CID66039719
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1CC2CCC1O2
InChIInChI=1S/C13H23NO/c1-4-9(2)7-12(14-3)11-8-10-5-6-13(11)15-10/h10-14H,2,4-8H2,1,3H3
InChIKeyXRKCNPQGUFVLOG-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine (CID 66039719) is N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine is C=C(CC)CC(NC)C1CC2CCC1O2.
What is the InChIKey of N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine?
The InChIKey is XRKCNPQGUFVLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-9(2)7-12(14-3)11-8-10-5-6-13(11)15-10/h10-14H,2,4-8H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine?
N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine is sourced from PubChem (CID 66039719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).