N-ethyl-7-methoxy-7-methyloctan-3-amine

C12H27NO — CID 103034551

IUPACN-ethyl-7-methoxy-7-methyloctan-3-amine
SMILESCCNC(CC)CCCC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-11(13-7-2)9-8-10-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyPIQIUJFTRVNILN-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About N-ethyl-7-methoxy-7-methyloctan-3-amine

N-ethyl-7-methoxy-7-methyloctan-3-amine (PubChem CID 103034551) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-ethyl-7-methoxy-7-methyloctan-3-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-7-methyloctan-3-amine
PubChem CID103034551
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-ethyl-7-methoxy-7-methyloctan-3-amine
SMILESCCNC(CC)CCCC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-11(13-7-2)9-8-10-12(3,4)14-5/h11,13H,6-10H2,1-5H3
InChIKeyPIQIUJFTRVNILN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-7-methyloctan-3-amine?
The IUPAC name of N-ethyl-7-methoxy-7-methyloctan-3-amine (CID 103034551) is N-ethyl-7-methoxy-7-methyloctan-3-amine.
What is the SMILES notation for N-ethyl-7-methoxy-7-methyloctan-3-amine?
The canonical SMILES for N-ethyl-7-methoxy-7-methyloctan-3-amine is CCNC(CC)CCCC(C)(C)OC.
What is the InChIKey of N-ethyl-7-methoxy-7-methyloctan-3-amine?
The InChIKey is PIQIUJFTRVNILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-11(13-7-2)9-8-10-12(3,4)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of N-ethyl-7-methoxy-7-methyloctan-3-amine?
N-ethyl-7-methoxy-7-methyloctan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-7-methyloctan-3-amine is sourced from PubChem (CID 103034551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).