3-N,3-N,3-triethylhexane-3,4-diamine

C12H28N2 — CID 79061535

IUPAC3-N,3-N,3-triethylhexane-3,4-diamine
SMILESCCC(N)C(CC)(CC)N(CC)CC
InChIInChI=1S/C12H28N2/c1-6-11(13)12(7-2,8-3)14(9-4)10-5/h11H,6-10,13H2,1-5H3
InChIKeyRKFASUNWWPNGOU-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.62
Rot. Bonds7

About 3-N,3-N,3-triethylhexane-3,4-diamine

3-N,3-N,3-triethylhexane-3,4-diamine (PubChem CID 79061535) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N,3-N,3-triethylhexane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,3-triethylhexane-3,4-diamine
PubChem CID79061535
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N,3-N,3-triethylhexane-3,4-diamine
SMILESCCC(N)C(CC)(CC)N(CC)CC
InChIInChI=1S/C12H28N2/c1-6-11(13)12(7-2,8-3)14(9-4)10-5/h11H,6-10,13H2,1-5H3
InChIKeyRKFASUNWWPNGOU-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-triethylhexane-3,4-diamine?
The IUPAC name of 3-N,3-N,3-triethylhexane-3,4-diamine (CID 79061535) is 3-N,3-N,3-triethylhexane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,3-triethylhexane-3,4-diamine?
The canonical SMILES for 3-N,3-N,3-triethylhexane-3,4-diamine is CCC(N)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N,3-triethylhexane-3,4-diamine?
The InChIKey is RKFASUNWWPNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-11(13)12(7-2,8-3)14(9-4)10-5/h11H,6-10,13H2,1-5H3.
What are the key properties of 3-N,3-N,3-triethylhexane-3,4-diamine?
3-N,3-N,3-triethylhexane-3,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-triethylhexane-3,4-diamine is sourced from PubChem (CID 79061535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).