3-N,3-N,4-trimethylpentane-1,3-diamine

C8H20N2 — CID 57126156

IUPAC3-N,3-N,4-trimethylpentane-1,3-diamine
SMILESCC(C)C(CCN)N(C)C
InChIInChI=1S/C8H20N2/c1-7(2)8(5-6-9)10(3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyWHMZUNKMDWUEMS-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.92
Rot. Bonds4

About 3-N,3-N,4-trimethylpentane-1,3-diamine

3-N,3-N,4-trimethylpentane-1,3-diamine (PubChem CID 57126156) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-N,3-N,4-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethylpentane-1,3-diamine
PubChem CID57126156
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-N,3-N,4-trimethylpentane-1,3-diamine
SMILESCC(C)C(CCN)N(C)C
InChIInChI=1S/C8H20N2/c1-7(2)8(5-6-9)10(3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyWHMZUNKMDWUEMS-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethylpentane-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethylpentane-1,3-diamine (CID 57126156) is 3-N,3-N,4-trimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethylpentane-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethylpentane-1,3-diamine is CC(C)C(CCN)N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethylpentane-1,3-diamine?
The InChIKey is WHMZUNKMDWUEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(2)8(5-6-9)10(3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethylpentane-1,3-diamine?
3-N,3-N,4-trimethylpentane-1,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethylpentane-1,3-diamine is sourced from PubChem (CID 57126156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).