3,4,4-trimethylpentane-2,3-diamine

C8H20N2 — CID 23202045

IUPAC3,4,4-trimethylpentane-2,3-diamine
SMILESCC(N)C(C)(N)C(C)(C)C
InChIInChI=1S/C8H20N2/c1-6(9)8(5,10)7(2,3)4/h6H,9-10H2,1-5H3
InChIKeyQCRAHBZOAYRPGG-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds1

About 3,4,4-trimethylpentane-2,3-diamine

3,4,4-trimethylpentane-2,3-diamine (PubChem CID 23202045) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,4,4-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3,4,4-trimethylpentane-2,3-diamine
PubChem CID23202045
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3,4,4-trimethylpentane-2,3-diamine
SMILESCC(N)C(C)(N)C(C)(C)C
InChIInChI=1S/C8H20N2/c1-6(9)8(5,10)7(2,3)4/h6H,9-10H2,1-5H3
InChIKeyQCRAHBZOAYRPGG-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethylpentane-2,3-diamine?
The IUPAC name of 3,4,4-trimethylpentane-2,3-diamine (CID 23202045) is 3,4,4-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3,4,4-trimethylpentane-2,3-diamine?
The canonical SMILES for 3,4,4-trimethylpentane-2,3-diamine is CC(N)C(C)(N)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethylpentane-2,3-diamine?
The InChIKey is QCRAHBZOAYRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-6(9)8(5,10)7(2,3)4/h6H,9-10H2,1-5H3.
What are the key properties of 3,4,4-trimethylpentane-2,3-diamine?
3,4,4-trimethylpentane-2,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethylpentane-2,3-diamine is sourced from PubChem (CID 23202045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).