2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine

C11H24N2 — CID 116674144

IUPAC2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESC=CCCNC(C)CNCC(C)C
InChIInChI=1S/C11H24N2/c1-5-6-7-13-11(4)9-12-8-10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyMUEAFZVRKSHZTO-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.79
Rot. Bonds8

About 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 116674144) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID116674144
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESC=CCCNC(C)CNCC(C)C
InChIInChI=1S/C11H24N2/c1-5-6-7-13-11(4)9-12-8-10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyMUEAFZVRKSHZTO-UHFFFAOYSA-N
XLogP1.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine (CID 116674144) is 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine is C=CCCNC(C)CNCC(C)C.
What is the InChIKey of 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is MUEAFZVRKSHZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-6-7-13-11(4)9-12-8-10(2)3/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-enyl-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 116674144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).