2-but-2-enyl-2-ethylpentane-1,5-diamine

C11H24N2 — CID 57003018

IUPAC2-but-2-enyl-2-ethylpentane-1,5-diamine
SMILESCC=CCC(CC)(CN)CCCN
InChIInChI=1S/C11H24N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3,5H,4,6-10,12-13H2,1-2H3
InChIKeyWIUIBRZDCRSVIW-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.05
Rot. Bonds7

About 2-but-2-enyl-2-ethylpentane-1,5-diamine

2-but-2-enyl-2-ethylpentane-1,5-diamine (PubChem CID 57003018) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-but-2-enyl-2-ethylpentane-1,5-diamine.

Molecular Properties

Compound Name2-but-2-enyl-2-ethylpentane-1,5-diamine
PubChem CID57003018
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-but-2-enyl-2-ethylpentane-1,5-diamine
SMILESCC=CCC(CC)(CN)CCCN
InChIInChI=1S/C11H24N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3,5H,4,6-10,12-13H2,1-2H3
InChIKeyWIUIBRZDCRSVIW-UHFFFAOYSA-N
XLogP2.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.05
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 2-but-2-enyl-2-ethylpentane-1,5-diamine?
The IUPAC name of 2-but-2-enyl-2-ethylpentane-1,5-diamine (CID 57003018) is 2-but-2-enyl-2-ethylpentane-1,5-diamine.
What is the SMILES notation for 2-but-2-enyl-2-ethylpentane-1,5-diamine?
The canonical SMILES for 2-but-2-enyl-2-ethylpentane-1,5-diamine is CC=CCC(CC)(CN)CCCN.
What is the InChIKey of 2-but-2-enyl-2-ethylpentane-1,5-diamine?
The InChIKey is WIUIBRZDCRSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-5-7-11(4-2,10-13)8-6-9-12/h3,5H,4,6-10,12-13H2,1-2H3.
What are the key properties of 2-but-2-enyl-2-ethylpentane-1,5-diamine?
2-but-2-enyl-2-ethylpentane-1,5-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-2-ethylpentane-1,5-diamine is sourced from PubChem (CID 57003018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).