3-N,2,3-trimethylpentane-2,3-diamine

C8H20N2 — CID 54405623

IUPAC3-N,2,3-trimethylpentane-2,3-diamine
SMILESCCC(C)(NC)C(C)(C)N
InChIInChI=1S/C8H20N2/c1-6-8(4,10-5)7(2,3)9/h10H,6,9H2,1-5H3
InChIKeyVQLYEDZVVGWCRD-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds3

About 3-N,2,3-trimethylpentane-2,3-diamine

3-N,2,3-trimethylpentane-2,3-diamine (PubChem CID 54405623) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-N,2,3-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N,2,3-trimethylpentane-2,3-diamine
PubChem CID54405623
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-N,2,3-trimethylpentane-2,3-diamine
SMILESCCC(C)(NC)C(C)(C)N
InChIInChI=1S/C8H20N2/c1-6-8(4,10-5)7(2,3)9/h10H,6,9H2,1-5H3
InChIKeyVQLYEDZVVGWCRD-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,2,3-trimethylpentane-2,3-diamine?
The IUPAC name of 3-N,2,3-trimethylpentane-2,3-diamine (CID 54405623) is 3-N,2,3-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3-N,2,3-trimethylpentane-2,3-diamine?
The canonical SMILES for 3-N,2,3-trimethylpentane-2,3-diamine is CCC(C)(NC)C(C)(C)N.
What is the InChIKey of 3-N,2,3-trimethylpentane-2,3-diamine?
The InChIKey is VQLYEDZVVGWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-6-8(4,10-5)7(2,3)9/h10H,6,9H2,1-5H3.
What are the key properties of 3-N,2,3-trimethylpentane-2,3-diamine?
3-N,2,3-trimethylpentane-2,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2,3-trimethylpentane-2,3-diamine is sourced from PubChem (CID 54405623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).