3,3-diethylhexane-1,6-diamine

C10H24N2 — CID 89464851

IUPAC3,3-diethylhexane-1,6-diamine
SMILESCCC(CC)(CCN)CCCN
InChIInChI=1S/C10H24N2/c1-3-10(4-2,7-9-12)6-5-8-11/h3-9,11-12H2,1-2H3
InChIKeyZDWKRTJINYFDSG-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.88
Rot. Bonds7

About 3,3-diethylhexane-1,6-diamine

3,3-diethylhexane-1,6-diamine (PubChem CID 89464851) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3,3-diethylhexane-1,6-diamine.

Molecular Properties

Compound Name3,3-diethylhexane-1,6-diamine
PubChem CID89464851
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3,3-diethylhexane-1,6-diamine
SMILESCCC(CC)(CCN)CCCN
InChIInChI=1S/C10H24N2/c1-3-10(4-2,7-9-12)6-5-8-11/h3-9,11-12H2,1-2H3
InChIKeyZDWKRTJINYFDSG-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-4-ethylhexan-1-amine
CID 54264302
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Frequently Asked Questions

What is the IUPAC name of 3,3-diethylhexane-1,6-diamine?
The IUPAC name of 3,3-diethylhexane-1,6-diamine (CID 89464851) is 3,3-diethylhexane-1,6-diamine.
What is the SMILES notation for 3,3-diethylhexane-1,6-diamine?
The canonical SMILES for 3,3-diethylhexane-1,6-diamine is CCC(CC)(CCN)CCCN.
What is the InChIKey of 3,3-diethylhexane-1,6-diamine?
The InChIKey is ZDWKRTJINYFDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-10(4-2,7-9-12)6-5-8-11/h3-9,11-12H2,1-2H3.
What are the key properties of 3,3-diethylhexane-1,6-diamine?
3,3-diethylhexane-1,6-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylhexane-1,6-diamine is sourced from PubChem (CID 89464851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).