3-(2-ethylhexylidene)hexane-2,5-diamine

C14H30N2 — CID 88516839

IUPAC3-(2-ethylhexylidene)hexane-2,5-diamine
SMILESCCCCC(C=C(CC(C)N)C(C)N)CC
InChIInChI=1S/C14H30N2/c1-5-7-8-13(6-2)10-14(12(4)16)9-11(3)15/h10-13H,5-9,15-16H2,1-4H3
InChIKeyVBGCKGOZPXUJFH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.21
Rot. Bonds8

About 3-(2-ethylhexylidene)hexane-2,5-diamine

3-(2-ethylhexylidene)hexane-2,5-diamine (PubChem CID 88516839) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(2-ethylhexylidene)hexane-2,5-diamine.

Molecular Properties

Compound Name3-(2-ethylhexylidene)hexane-2,5-diamine
PubChem CID88516839
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-(2-ethylhexylidene)hexane-2,5-diamine
SMILESCCCCC(C=C(CC(C)N)C(C)N)CC
InChIInChI=1S/C14H30N2/c1-5-7-8-13(6-2)10-14(12(4)16)9-11(3)15/h10-13H,5-9,15-16H2,1-4H3
InChIKeyVBGCKGOZPXUJFH-UHFFFAOYSA-N
XLogP3.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylidene)hexane-2,5-diamine?
The IUPAC name of 3-(2-ethylhexylidene)hexane-2,5-diamine (CID 88516839) is 3-(2-ethylhexylidene)hexane-2,5-diamine.
What is the SMILES notation for 3-(2-ethylhexylidene)hexane-2,5-diamine?
The canonical SMILES for 3-(2-ethylhexylidene)hexane-2,5-diamine is CCCCC(C=C(CC(C)N)C(C)N)CC.
What is the InChIKey of 3-(2-ethylhexylidene)hexane-2,5-diamine?
The InChIKey is VBGCKGOZPXUJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-8-13(6-2)10-14(12(4)16)9-11(3)15/h10-13H,5-9,15-16H2,1-4H3.
What are the key properties of 3-(2-ethylhexylidene)hexane-2,5-diamine?
3-(2-ethylhexylidene)hexane-2,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylidene)hexane-2,5-diamine is sourced from PubChem (CID 88516839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).