6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine

C15H31NO2 — CID 103031425

IUPAC6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
SMILESCNC(CCC1CCCCO1)CCC(C)(C)OC
InChIInChI=1S/C15H31NO2/c1-15(2,17-4)11-10-13(16-3)8-9-14-7-5-6-12-18-14/h13-14,16H,5-12H2,1-4H3
InChIKeyLLDMOBJKLLLROM-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds8

About 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine

6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine (PubChem CID 103031425) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
PubChem CID103031425
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
SMILESCNC(CCC1CCCCO1)CCC(C)(C)OC
InChIInChI=1S/C15H31NO2/c1-15(2,17-4)11-10-13(16-3)8-9-14-7-5-6-12-18-14/h13-14,16H,5-12H2,1-4H3
InChIKeyLLDMOBJKLLLROM-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
The IUPAC name of 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine (CID 103031425) is 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine.
What is the SMILES notation for 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
The canonical SMILES for 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine is CNC(CCC1CCCCO1)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
The InChIKey is LLDMOBJKLLLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-15(2,17-4)11-10-13(16-3)8-9-14-7-5-6-12-18-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine?
6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,6-dimethyl-1-(oxan-2-yl)heptan-3-amine is sourced from PubChem (CID 103031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).