3,5-dimethylhexane-1,5-diamine

C8H20N2 — CID 20685258

IUPAC3,5-dimethylhexane-1,5-diamine
SMILESCC(CCN)CC(C)(C)N
InChIInChI=1S/C8H20N2/c1-7(4-5-9)6-8(2,3)10/h7H,4-6,9-10H2,1-3H3
InChIKeyWMBVBYXGEZDXEY-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds4

About 3,5-dimethylhexane-1,5-diamine

3,5-dimethylhexane-1,5-diamine (PubChem CID 20685258) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,5-dimethylhexane-1,5-diamine.

Molecular Properties

Compound Name3,5-dimethylhexane-1,5-diamine
PubChem CID20685258
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3,5-dimethylhexane-1,5-diamine
SMILESCC(CCN)CC(C)(C)N
InChIInChI=1S/C8H20N2/c1-7(4-5-9)6-8(2,3)10/h7H,4-6,9-10H2,1-3H3
InChIKeyWMBVBYXGEZDXEY-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 3,5-dimethylhexane-1,5-diamine?
The IUPAC name of 3,5-dimethylhexane-1,5-diamine (CID 20685258) is 3,5-dimethylhexane-1,5-diamine.
What is the SMILES notation for 3,5-dimethylhexane-1,5-diamine?
The canonical SMILES for 3,5-dimethylhexane-1,5-diamine is CC(CCN)CC(C)(C)N.
What is the InChIKey of 3,5-dimethylhexane-1,5-diamine?
The InChIKey is WMBVBYXGEZDXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(4-5-9)6-8(2,3)10/h7H,4-6,9-10H2,1-3H3.
What are the key properties of 3,5-dimethylhexane-1,5-diamine?
3,5-dimethylhexane-1,5-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhexane-1,5-diamine is sourced from PubChem (CID 20685258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).