3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine

C12H28N2 — CID 79063415

IUPAC3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine
SMILESCCC(C)(C(NC)C(C)(C)C)N(C)C
InChIInChI=1S/C12H28N2/c1-9-12(5,14(7)8)10(13-6)11(2,3)4/h10,13H,9H2,1-8H3
InChIKeyJUSYBVVQDIXINK-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds4

About 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine

3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine (PubChem CID 79063415) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine
PubChem CID79063415
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine
SMILESCCC(C)(C(NC)C(C)(C)C)N(C)C
InChIInChI=1S/C12H28N2/c1-9-12(5,14(7)8)10(13-6)11(2,3)4/h10,13H,9H2,1-8H3
InChIKeyJUSYBVVQDIXINK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine?
The IUPAC name of 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine (CID 79063415) is 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine.
What is the SMILES notation for 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine?
The canonical SMILES for 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine is CCC(C)(C(NC)C(C)(C)C)N(C)C.
What is the InChIKey of 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine?
The InChIKey is JUSYBVVQDIXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-9-12(5,14(7)8)10(13-6)11(2,3)4/h10,13H,9H2,1-8H3.
What are the key properties of 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine?
3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N,4-N,2,2,4-hexamethylhexane-3,4-diamine is sourced from PubChem (CID 79063415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).