3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine

C16H36N2O — CID 103035847

IUPAC3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine
SMILESCCN(CC)C(CC)(CC)C(N)CCC(C)(C)OC
InChIInChI=1S/C16H36N2O/c1-8-16(9-2,18(10-3)11-4)14(17)12-13-15(5,6)19-7/h14H,8-13,17H2,1-7H3
InChIKeyLJUPAZIFSZXIIC-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.42
Rot. Bonds10

About 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine

3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine (PubChem CID 103035847) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine
PubChem CID103035847
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine
SMILESCCN(CC)C(CC)(CC)C(N)CCC(C)(C)OC
InChIInChI=1S/C16H36N2O/c1-8-16(9-2,18(10-3)11-4)14(17)12-13-15(5,6)19-7/h14H,8-13,17H2,1-7H3
InChIKeyLJUPAZIFSZXIIC-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine?
The IUPAC name of 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine (CID 103035847) is 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine?
The canonical SMILES for 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine is CCN(CC)C(CC)(CC)C(N)CCC(C)(C)OC.
What is the InChIKey of 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine?
The InChIKey is LJUPAZIFSZXIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-16(9-2,18(10-3)11-4)14(17)12-13-15(5,6)19-7/h14H,8-13,17H2,1-7H3.
What are the key properties of 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine?
3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-triethyl-7-methoxy-7-methyloctane-3,4-diamine is sourced from PubChem (CID 103035847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).