N-(3-aminopropyl)-N-butylpropanamide;ethane

C12H28N2O — CID 142121594

IUPACN-(3-aminopropyl)-N-butylpropanamide;ethane
SMILESCC.CCCCN(CCCN)C(=O)CC
InChIInChI=1S/C10H22N2O.C2H6/c1-3-5-8-12(9-6-7-11)10(13)4-2;1-2/h3-9,11H2,1-2H3;1-2H3
InChIKeyFBMIJZBNPJFAGC-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.40
Rot. Bonds7

About N-(3-aminopropyl)-N-butylpropanamide;ethane

N-(3-aminopropyl)-N-butylpropanamide;ethane (PubChem CID 142121594) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-butylpropanamide;ethane.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-butylpropanamide;ethane
PubChem CID142121594
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-(3-aminopropyl)-N-butylpropanamide;ethane
SMILESCC.CCCCN(CCCN)C(=O)CC
InChIInChI=1S/C10H22N2O.C2H6/c1-3-5-8-12(9-6-7-11)10(13)4-2;1-2/h3-9,11H2,1-2H3;1-2H3
InChIKeyFBMIJZBNPJFAGC-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
N-[3-(dibutylamino)propyl]-N-octadecylpropanamide
CID 146463655
N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N,N-dibutyl-2-propoxyacetamide
CID 48656867
N-(2-acetamidoethyl)-N-butylpropanamide
CID 170264353

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-butylpropanamide;ethane?
The IUPAC name of N-(3-aminopropyl)-N-butylpropanamide;ethane (CID 142121594) is N-(3-aminopropyl)-N-butylpropanamide;ethane.
What is the SMILES notation for N-(3-aminopropyl)-N-butylpropanamide;ethane?
The canonical SMILES for N-(3-aminopropyl)-N-butylpropanamide;ethane is CC.CCCCN(CCCN)C(=O)CC.
What is the InChIKey of N-(3-aminopropyl)-N-butylpropanamide;ethane?
The InChIKey is FBMIJZBNPJFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C2H6/c1-3-5-8-12(9-6-7-11)10(13)4-2;1-2/h3-9,11H2,1-2H3;1-2H3.
What are the key properties of N-(3-aminopropyl)-N-butylpropanamide;ethane?
N-(3-aminopropyl)-N-butylpropanamide;ethane has a molecular weight of 216.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-butylpropanamide;ethane is sourced from PubChem (CID 142121594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).