2,2,4-trimethylpentane-1,4-diamine

C8H20N2 — CID 87112848

IUPAC2,2,4-trimethylpentane-1,4-diamine
SMILESCC(C)(N)CC(C)(C)CN
InChIInChI=1S/C8H20N2/c1-7(2,6-9)5-8(3,4)10/h5-6,9-10H2,1-4H3
InChIKeyZVIPQFBTRXYKCP-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds3

About 2,2,4-trimethylpentane-1,4-diamine

2,2,4-trimethylpentane-1,4-diamine (PubChem CID 87112848) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,2,4-trimethylpentane-1,4-diamine.

Molecular Properties

Compound Name2,2,4-trimethylpentane-1,4-diamine
PubChem CID87112848
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2,2,4-trimethylpentane-1,4-diamine
SMILESCC(C)(N)CC(C)(C)CN
InChIInChI=1S/C8H20N2/c1-7(2,6-9)5-8(3,4)10/h5-6,9-10H2,1-4H3
InChIKeyZVIPQFBTRXYKCP-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylpentane-1,4-diamine?
The IUPAC name of 2,2,4-trimethylpentane-1,4-diamine (CID 87112848) is 2,2,4-trimethylpentane-1,4-diamine.
What is the SMILES notation for 2,2,4-trimethylpentane-1,4-diamine?
The canonical SMILES for 2,2,4-trimethylpentane-1,4-diamine is CC(C)(N)CC(C)(C)CN.
What is the InChIKey of 2,2,4-trimethylpentane-1,4-diamine?
The InChIKey is ZVIPQFBTRXYKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(2,6-9)5-8(3,4)10/h5-6,9-10H2,1-4H3.
What are the key properties of 2,2,4-trimethylpentane-1,4-diamine?
2,2,4-trimethylpentane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylpentane-1,4-diamine is sourced from PubChem (CID 87112848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).