N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine

C16H32N2O — CID 57096483

IUPACN-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine
SMILESCCCCNCCC=COC=CCCNCCCC
InChIInChI=1S/C16H32N2O/c1-3-5-11-17-13-7-9-15-19-16-10-8-14-18-12-6-4-2/h9-10,15-18H,3-8,11-14H2,1-2H3
InChIKeyCNESUXFPKWOZHU-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.59
Rot. Bonds14

About N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine

N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine (PubChem CID 57096483) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine.

Molecular Properties

Compound NameN-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine
PubChem CID57096483
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine
SMILESCCCCNCCC=COC=CCCNCCCC
InChIInChI=1S/C16H32N2O/c1-3-5-11-17-13-7-9-15-19-16-10-8-14-18-12-6-4-2/h9-10,15-18H,3-8,11-14H2,1-2H3
InChIKeyCNESUXFPKWOZHU-UHFFFAOYSA-N
XLogP3.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.59
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-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine?
The IUPAC name of N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine (CID 57096483) is N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine.
What is the SMILES notation for N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine?
The canonical SMILES for N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine is CCCCNCCC=COC=CCCNCCCC.
What is the InChIKey of N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine?
The InChIKey is CNESUXFPKWOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-11-17-13-7-9-15-19-16-10-8-14-18-12-6-4-2/h9-10,15-18H,3-8,11-14H2,1-2H3.
What are the key properties of N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine?
N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine has a molecular weight of 268.44 g/mol, XLogP of 3.59, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine is sourced from PubChem (CID 57096483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).