3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine

C13H30N2 — CID 79062379

IUPAC3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
SMILESCCC(CC)(C(CC(C)C)NC)N(C)C
InChIInChI=1S/C13H30N2/c1-8-13(9-2,15(6)7)12(14-5)10-11(3)4/h11-12,14H,8-10H2,1-7H3
InChIKeyJNGRUQZQLRGIRL-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds7

About 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine

3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine (PubChem CID 79062379) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
PubChem CID79062379
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
SMILESCCC(CC)(C(CC(C)C)NC)N(C)C
InChIInChI=1S/C13H30N2/c1-8-13(9-2,15(6)7)12(14-5)10-11(3)4/h11-12,14H,8-10H2,1-7H3
InChIKeyJNGRUQZQLRGIRL-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine (CID 79062379) is 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine is CCC(CC)(C(CC(C)C)NC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?
The InChIKey is JNGRUQZQLRGIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-8-13(9-2,15(6)7)12(14-5)10-11(3)4/h11-12,14H,8-10H2,1-7H3.
What are the key properties of 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine?
3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine is sourced from PubChem (CID 79062379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).