4-ethylhexan-3-amine

C8H19N — CID 3017921

IUPAC4-ethylhexan-3-amine
SMILESCCC(N)C(CC)CC
InChIInChI=1S/C8H19N/c1-4-7(5-2)8(9)6-3/h7-8H,4-6,9H2,1-3H3
InChIKeyGCGOMJYOFWJKSE-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds4

About 4-ethylhexan-3-amine

4-ethylhexan-3-amine (PubChem CID 3017921) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 4-ethylhexan-3-amine.

Molecular Properties

Compound Name4-ethylhexan-3-amine
PubChem CID3017921
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name4-ethylhexan-3-amine
SMILESCCC(N)C(CC)CC
InChIInChI=1S/C8H19N/c1-4-7(5-2)8(9)6-3/h7-8H,4-6,9H2,1-3H3
InChIKeyGCGOMJYOFWJKSE-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylhexan-3-amine?
The IUPAC name of 4-ethylhexan-3-amine (CID 3017921) is 4-ethylhexan-3-amine.
What is the SMILES notation for 4-ethylhexan-3-amine?
The canonical SMILES for 4-ethylhexan-3-amine is CCC(N)C(CC)CC.
What is the InChIKey of 4-ethylhexan-3-amine?
The InChIKey is GCGOMJYOFWJKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-7(5-2)8(9)6-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 4-ethylhexan-3-amine?
4-ethylhexan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhexan-3-amine is sourced from PubChem (CID 3017921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).