N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine

C11H25N3 — CID 155275089

IUPACN'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine
SMILESC=CCCN(C)CN(C)CNC(C)C
InChIInChI=1S/C11H25N3/c1-6-7-8-13(4)10-14(5)9-12-11(2)3/h6,11-12H,1,7-10H2,2-5H3
InChIKeyRADNMRYGUXWQOO-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.34
Rot. Bonds8

About N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine

N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine (PubChem CID 155275089) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine
PubChem CID155275089
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine
SMILESC=CCCN(C)CN(C)CNC(C)C
InChIInChI=1S/C11H25N3/c1-6-7-8-13(4)10-14(5)9-12-11(2)3/h6,11-12H,1,7-10H2,2-5H3
InChIKeyRADNMRYGUXWQOO-UHFFFAOYSA-N
XLogP1.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine?
The IUPAC name of N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine (CID 155275089) is N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine.
What is the SMILES notation for N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine?
The canonical SMILES for N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine is C=CCCN(C)CN(C)CNC(C)C.
What is the InChIKey of N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine?
The InChIKey is RADNMRYGUXWQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-7-8-13(4)10-14(5)9-12-11(2)3/h6,11-12H,1,7-10H2,2-5H3.
What are the key properties of N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine?
N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine has a molecular weight of 199.34 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine is sourced from PubChem (CID 155275089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).