azane;3-ethylhexan-3-amine

C8H22N2 — CID 18676269

IUPACazane;3-ethylhexan-3-amine
SMILESCCCC(N)(CC)CC.N
InChIInChI=1S/C8H19N.H3N/c1-4-7-8(9,5-2)6-3;/h4-7,9H2,1-3H3;1H3
InChIKeyDWYNDSGPFZKUHH-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.47
Rot. Bonds4

About azane;3-ethylhexan-3-amine

azane;3-ethylhexan-3-amine (PubChem CID 18676269) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is azane;3-ethylhexan-3-amine.

Molecular Properties

Compound Nameazane;3-ethylhexan-3-amine
PubChem CID18676269
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Nameazane;3-ethylhexan-3-amine
SMILESCCCC(N)(CC)CC.N
InChIInChI=1S/C8H19N.H3N/c1-4-7-8(9,5-2)6-3;/h4-7,9H2,1-3H3;1H3
InChIKeyDWYNDSGPFZKUHH-UHFFFAOYSA-N
XLogP2.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;3-ethylhexan-3-amine?
The IUPAC name of azane;3-ethylhexan-3-amine (CID 18676269) is azane;3-ethylhexan-3-amine.
What is the SMILES notation for azane;3-ethylhexan-3-amine?
The canonical SMILES for azane;3-ethylhexan-3-amine is CCCC(N)(CC)CC.N.
What is the InChIKey of azane;3-ethylhexan-3-amine?
The InChIKey is DWYNDSGPFZKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.H3N/c1-4-7-8(9,5-2)6-3;/h4-7,9H2,1-3H3;1H3.
What are the key properties of azane;3-ethylhexan-3-amine?
azane;3-ethylhexan-3-amine has a molecular weight of 146.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethylhexan-3-amine is sourced from PubChem (CID 18676269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).