N,6-diethyl-3-methoxyoctan-4-amine

C13H29NO — CID 116715848

IUPACN,6-diethyl-3-methoxyoctan-4-amine
SMILESCCNC(CC(CC)CC)C(CC)OC
InChIInChI=1S/C13H29NO/c1-6-11(7-2)10-12(14-9-4)13(8-3)15-5/h11-14H,6-10H2,1-5H3
InChIKeyGQBYSBCDCLFIKD-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds9

About N,6-diethyl-3-methoxyoctan-4-amine

N,6-diethyl-3-methoxyoctan-4-amine (PubChem CID 116715848) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,6-diethyl-3-methoxyoctan-4-amine.

Molecular Properties

Compound NameN,6-diethyl-3-methoxyoctan-4-amine
PubChem CID116715848
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,6-diethyl-3-methoxyoctan-4-amine
SMILESCCNC(CC(CC)CC)C(CC)OC
InChIInChI=1S/C13H29NO/c1-6-11(7-2)10-12(14-9-4)13(8-3)15-5/h11-14H,6-10H2,1-5H3
InChIKeyGQBYSBCDCLFIKD-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethyl-1-piperidin-2-ylpentyl) hypofluorite
CID 144738728
N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 104749593
1-(4,4-difluorocyclohexyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105168103
N-ethyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168135
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105168294
1-cyclohexyl-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 113448675
3-ethoxy-8,8,8-trifluoro-N,2-dimethyloctan-4-amine
CID 113556707
3-ethoxy-N-ethyl-8,8,8-trifluoro-2-methyloctan-4-amine
CID 113556747
1-cyclopropyl-1-ethoxy-6,6,6-trifluoro-N-methylhexan-2-amine
CID 113557018
N-ethyl-8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-amine
CID 113557189
3-ethoxy-N-ethyl-8,8,8-trifluoro-3-methyloctan-4-amine
CID 113561362
N,3-diethyl-8,8,8-trifluoro-3-methoxyoctan-4-amine
CID 113561601

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-3-methoxyoctan-4-amine?
The IUPAC name of N,6-diethyl-3-methoxyoctan-4-amine (CID 116715848) is N,6-diethyl-3-methoxyoctan-4-amine.
What is the SMILES notation for N,6-diethyl-3-methoxyoctan-4-amine?
The canonical SMILES for N,6-diethyl-3-methoxyoctan-4-amine is CCNC(CC(CC)CC)C(CC)OC.
What is the InChIKey of N,6-diethyl-3-methoxyoctan-4-amine?
The InChIKey is GQBYSBCDCLFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-11(7-2)10-12(14-9-4)13(8-3)15-5/h11-14H,6-10H2,1-5H3.
What are the key properties of N,6-diethyl-3-methoxyoctan-4-amine?
N,6-diethyl-3-methoxyoctan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-3-methoxyoctan-4-amine is sourced from PubChem (CID 116715848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).