N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine

C10H20N2O — CID 87221766

IUPACN-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine
SMILESC=C(OC(=C)C(C)NC)C(C)NC
InChIInChI=1S/C10H20N2O/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-8,11-12H,3-4H2,1-2,5-6H3
InChIKeyKNLIGOAYLWZUJL-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.25
Rot. Bonds6

About N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine

N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine (PubChem CID 87221766) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine
PubChem CID87221766
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine
SMILESC=C(OC(=C)C(C)NC)C(C)NC
InChIInChI=1S/C10H20N2O/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-8,11-12H,3-4H2,1-2,5-6H3
InChIKeyKNLIGOAYLWZUJL-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine?
The IUPAC name of N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine (CID 87221766) is N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine.
What is the SMILES notation for N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine?
The canonical SMILES for N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine is C=C(OC(=C)C(C)NC)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine?
The InChIKey is KNLIGOAYLWZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-8,11-12H,3-4H2,1-2,5-6H3.
What are the key properties of N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine?
N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine has a molecular weight of 184.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(methylamino)but-1-en-2-yloxy]but-3-en-2-amine is sourced from PubChem (CID 87221766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).