N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide

C13H28N2O — CID 19840893

IUPACN-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide
SMILESCCCCN(C=O)CCN(CC)CCCC
InChIInChI=1S/C13H28N2O/c1-4-7-9-14(6-3)11-12-15(13-16)10-8-5-2/h13H,4-12H2,1-3H3
InChIKeyLWEDAXOHTHZVGS-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.37
Rot. Bonds11

About N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide

N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide (PubChem CID 19840893) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide.

Molecular Properties

Compound NameN-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide
PubChem CID19840893
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide
SMILESCCCCN(C=O)CCN(CC)CCCC
InChIInChI=1S/C13H28N2O/c1-4-7-9-14(6-3)11-12-15(13-16)10-8-5-2/h13H,4-12H2,1-3H3
InChIKeyLWEDAXOHTHZVGS-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide?
The IUPAC name of N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide (CID 19840893) is N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide.
What is the SMILES notation for N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide?
The canonical SMILES for N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide is CCCCN(C=O)CCN(CC)CCCC.
What is the InChIKey of N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide?
The InChIKey is LWEDAXOHTHZVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-9-14(6-3)11-12-15(13-16)10-8-5-2/h13H,4-12H2,1-3H3.
What are the key properties of N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide?
N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide has a molecular weight of 228.38 g/mol, XLogP of 2.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide is sourced from PubChem (CID 19840893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).