1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine

C13H30N2 — CID 79086942

IUPAC1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
SMILESCCNC(CCN(CC)CC)CC(C)C
InChIInChI=1S/C13H30N2/c1-6-14-13(11-12(4)5)9-10-15(7-2)8-3/h12-14H,6-11H2,1-5H3
InChIKeyVAAYTORAGPYYES-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds9

About 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine

1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine (PubChem CID 79086942) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
PubChem CID79086942
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
SMILESCCNC(CCN(CC)CC)CC(C)C
InChIInChI=1S/C13H30N2/c1-6-14-13(11-12(4)5)9-10-15(7-2)8-3/h12-14H,6-11H2,1-5H3
InChIKeyVAAYTORAGPYYES-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine (CID 79086942) is 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine is CCNC(CCN(CC)CC)CC(C)C.
What is the InChIKey of 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine?
The InChIKey is VAAYTORAGPYYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-14-13(11-12(4)5)9-10-15(7-2)8-3/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine?
1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine is sourced from PubChem (CID 79086942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).