N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen

C14H34N2O — CID 142122346

IUPACN-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen
SMILESCC.CCCCN(CCCCNCC)C(C)=O.[H][H]
InChIInChI=1S/C12H26N2O.C2H6.H2/c1-4-6-10-14(12(3)15)11-8-7-9-13-5-2;1-2;/h13H,4-11H2,1-3H3;1-2H3;1H
InChIKeyPIDVNERVRLUIBY-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.30
Rot. Bonds9

About N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen

N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen (PubChem CID 142122346) has the molecular formula C14H34N2O and a molecular weight of 246.44 g/mol. Its IUPAC name is N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen
PubChem CID142122346
Molecular FormulaC14H34N2O
Molecular Weight246.44 g/mol
Exact Mass246.27
IUPAC NameN-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen
SMILESCC.CCCCN(CCCCNCC)C(C)=O.[H][H]
InChIInChI=1S/C12H26N2O.C2H6.H2/c1-4-6-10-14(12(3)15)11-8-7-9-13-5-2;1-2;/h13H,4-11H2,1-3H3;1-2H3;1H
InChIKeyPIDVNERVRLUIBY-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-heptylacetamide
CID 91713167
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
CID 167519800
N-butyl-N-[5-(butylamino)pentyl]propanamide
CID 142121020
N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide
CID 24885815
dihexylcarbamic acid;N-hexylhexan-1-amine
CID 174945078
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
N-butyl-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113052446
ethane;N-ethylhexan-1-amine
CID 143229911

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen?
The IUPAC name of N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen (CID 142122346) is N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen?
The canonical SMILES for N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen is CC.CCCCN(CCCCNCC)C(C)=O.[H][H].
What is the InChIKey of N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen?
The InChIKey is PIDVNERVRLUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C2H6.H2/c1-4-6-10-14(12(3)15)11-8-7-9-13-5-2;1-2;/h13H,4-11H2,1-3H3;1-2H3;1H.
What are the key properties of N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen?
N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen has a molecular weight of 246.44 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(ethylamino)butyl]acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 142122346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).