3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine

C14H32N2O — CID 103035843

IUPAC3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine
SMILESCCC(CC)(C(N)CCC(C)(C)OC)N(C)C
InChIInChI=1S/C14H32N2O/c1-8-14(9-2,16(5)6)12(15)10-11-13(3,4)17-7/h12H,8-11,15H2,1-7H3
InChIKeyUXBQYBCCHWGNMS-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.64
Rot. Bonds8

About 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine

3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine (PubChem CID 103035843) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine
PubChem CID103035843
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine
SMILESCCC(CC)(C(N)CCC(C)(C)OC)N(C)C
InChIInChI=1S/C14H32N2O/c1-8-14(9-2,16(5)6)12(15)10-11-13(3,4)17-7/h12H,8-11,15H2,1-7H3
InChIKeyUXBQYBCCHWGNMS-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine?
The IUPAC name of 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine (CID 103035843) is 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine.
What is the SMILES notation for 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine?
The canonical SMILES for 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine is CCC(CC)(C(N)CCC(C)(C)OC)N(C)C.
What is the InChIKey of 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine?
The InChIKey is UXBQYBCCHWGNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-8-14(9-2,16(5)6)12(15)10-11-13(3,4)17-7/h12H,8-11,15H2,1-7H3.
What are the key properties of 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine?
3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-3-N,3-N,7-trimethyloctane-3,4-diamine is sourced from PubChem (CID 103035843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).