4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine

C16H34N2O — CID 55227194

IUPAC4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine
SMILESCCCC(NCC)C(CC)N(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-9-15(17-7-3)16(6-2)18(4)12-14-10-8-11-19-13-14/h14-17H,5-13H2,1-4H3
InChIKeyLHYADDKUMRFKQD-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

About 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine

4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine (PubChem CID 55227194) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine
PubChem CID55227194
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine
SMILESCCCC(NCC)C(CC)N(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-9-15(17-7-3)16(6-2)18(4)12-14-10-8-11-19-13-14/h14-17H,5-13H2,1-4H3
InChIKeyLHYADDKUMRFKQD-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine?
The IUPAC name of 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine (CID 55227194) is 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine?
The canonical SMILES for 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine is CCCC(NCC)C(CC)N(C)CC1CCCOC1.
What is the InChIKey of 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine?
The InChIKey is LHYADDKUMRFKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-15(17-7-3)16(6-2)18(4)12-14-10-8-11-19-13-14/h14-17H,5-13H2,1-4H3.
What are the key properties of 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine?
4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)heptane-3,4-diamine is sourced from PubChem (CID 55227194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).