2-N-but-3-enyl-2-methylpropane-1,2-diamine

C8H18N2 — CID 55284641

IUPAC2-N-but-3-enyl-2-methylpropane-1,2-diamine
SMILESC=CCCNC(C)(C)CN
InChIInChI=1S/C8H18N2/c1-4-5-6-10-8(2,3)7-9/h4,10H,1,5-7,9H2,2-3H3
InChIKeyZZTOLHPLHSAPOA-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.89
Rot. Bonds5

About 2-N-but-3-enyl-2-methylpropane-1,2-diamine

2-N-but-3-enyl-2-methylpropane-1,2-diamine (PubChem CID 55284641) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-N-but-3-enyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-enyl-2-methylpropane-1,2-diamine
PubChem CID55284641
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-N-but-3-enyl-2-methylpropane-1,2-diamine
SMILESC=CCCNC(C)(C)CN
InChIInChI=1S/C8H18N2/c1-4-5-6-10-8(2,3)7-9/h4,10H,1,5-7,9H2,2-3H3
InChIKeyZZTOLHPLHSAPOA-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.89
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-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-but-3-enyl-2-methylpropane-1,2-diamine (CID 55284641) is 2-N-but-3-enyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-enyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-but-3-enyl-2-methylpropane-1,2-diamine is C=CCCNC(C)(C)CN.
What is the InChIKey of 2-N-but-3-enyl-2-methylpropane-1,2-diamine?
The InChIKey is ZZTOLHPLHSAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-6-10-8(2,3)7-9/h4,10H,1,5-7,9H2,2-3H3.
What are the key properties of 2-N-but-3-enyl-2-methylpropane-1,2-diamine?
2-N-but-3-enyl-2-methylpropane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.89, 5 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-2-methylpropane-1,2-diamine is sourced from PubChem (CID 55284641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).