1-N'-butyl-2-methylprop-1-ene-1,1-diamine

C8H18N2 — CID 172564850

IUPAC1-N'-butyl-2-methylprop-1-ene-1,1-diamine
SMILESCCCCNC(N)=C(C)C
InChIInChI=1S/C8H18N2/c1-4-5-6-10-8(9)7(2)3/h10H,4-6,9H2,1-3H3
InChIKeyBDJJRWARPRWWQW-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.59
Rot. Bonds4

About 1-N'-butyl-2-methylprop-1-ene-1,1-diamine

1-N'-butyl-2-methylprop-1-ene-1,1-diamine (PubChem CID 172564850) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N'-butyl-2-methylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-butyl-2-methylprop-1-ene-1,1-diamine
PubChem CID172564850
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N'-butyl-2-methylprop-1-ene-1,1-diamine
SMILESCCCCNC(N)=C(C)C
InChIInChI=1S/C8H18N2/c1-4-5-6-10-8(9)7(2)3/h10H,4-6,9H2,1-3H3
InChIKeyBDJJRWARPRWWQW-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-butyl-2-methylprop-1-ene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-2-methylprop-1-ene-1,1-diamine?
The IUPAC name of 1-N'-butyl-2-methylprop-1-ene-1,1-diamine (CID 172564850) is 1-N'-butyl-2-methylprop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N'-butyl-2-methylprop-1-ene-1,1-diamine?
The canonical SMILES for 1-N'-butyl-2-methylprop-1-ene-1,1-diamine is CCCCNC(N)=C(C)C.
What is the InChIKey of 1-N'-butyl-2-methylprop-1-ene-1,1-diamine?
The InChIKey is BDJJRWARPRWWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-6-10-8(9)7(2)3/h10H,4-6,9H2,1-3H3.
What are the key properties of 1-N'-butyl-2-methylprop-1-ene-1,1-diamine?
1-N'-butyl-2-methylprop-1-ene-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-2-methylprop-1-ene-1,1-diamine is sourced from PubChem (CID 172564850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).