N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine

C10H20N2O — CID 57163783

IUPACN-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
SMILESCNCCC=COC=CCCNC
InChIInChI=1S/C10H20N2O/c1-11-7-3-5-9-13-10-6-4-8-12-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyAWVIWCVALGRPQQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.25
Rot. Bonds8

About N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine

N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine (PubChem CID 57163783) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
PubChem CID57163783
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
SMILESCNCCC=COC=CCCNC
InChIInChI=1S/C10H20N2O/c1-11-7-3-5-9-13-10-6-4-8-12-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyAWVIWCVALGRPQQ-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine?
The IUPAC name of N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine (CID 57163783) is N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine.
What is the SMILES notation for N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine?
The canonical SMILES for N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine is CNCCC=COC=CCCNC.
What is the InChIKey of N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine?
The InChIKey is AWVIWCVALGRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-7-3-5-9-13-10-6-4-8-12-2/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine?
N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 1.25, 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)but-1-enoxy]but-3-en-1-amine is sourced from PubChem (CID 57163783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).