3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine

C12H28N2 — CID 79062384

IUPAC3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine
SMILESCCCC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C12H28N2/c1-7-10-11(13-4)12(8-2,9-3)14(5)6/h11,13H,7-10H2,1-6H3
InChIKeyHKPQAQSKHCHGFO-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds7

About 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine

3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine (PubChem CID 79062384) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine
PubChem CID79062384
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine
SMILESCCCC(NC)C(CC)(CC)N(C)C
InChIInChI=1S/C12H28N2/c1-7-10-11(13-4)12(8-2,9-3)14(5)6/h11,13H,7-10H2,1-6H3
InChIKeyHKPQAQSKHCHGFO-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 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 ≤ 52.49
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-trimethylheptane-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine (CID 79062384) is 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine is CCCC(NC)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine?
The InChIKey is HKPQAQSKHCHGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-10-11(13-4)12(8-2,9-3)14(5)6/h11,13H,7-10H2,1-6H3.
What are the key properties of 3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine?
3-ethyl-3-N,3-N,4-N-trimethylheptane-3,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 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-trimethylheptane-3,4-diamine is sourced from PubChem (CID 79062384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).