N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine

C12H24N2O — CID 141093033

IUPACN-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine
SMILESC=C(CC(C)NC)OC(=C)CC(C)NC
InChIInChI=1S/C12H24N2O/c1-9(13-5)7-11(3)15-12(4)8-10(2)14-6/h9-10,13-14H,3-4,7-8H2,1-2,5-6H3
InChIKeyWWWPEBFLXHBNBH-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.03
Rot. Bonds8

About N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine

N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine (PubChem CID 141093033) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine
PubChem CID141093033
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine
SMILESC=C(CC(C)NC)OC(=C)CC(C)NC
InChIInChI=1S/C12H24N2O/c1-9(13-5)7-11(3)15-12(4)8-10(2)14-6/h9-10,13-14H,3-4,7-8H2,1-2,5-6H3
InChIKeyWWWPEBFLXHBNBH-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine 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 N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine?
The IUPAC name of N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine (CID 141093033) is N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine.
What is the SMILES notation for N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine?
The canonical SMILES for N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine is C=C(CC(C)NC)OC(=C)CC(C)NC.
What is the InChIKey of N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine?
The InChIKey is WWWPEBFLXHBNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(13-5)7-11(3)15-12(4)8-10(2)14-6/h9-10,13-14H,3-4,7-8H2,1-2,5-6H3.
What are the key properties of N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine?
N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine is sourced from PubChem (CID 141093033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).