3-[bis(3-methylbutyl)amino]propanamide

C13H28N2O — CID 103601317

IUPAC3-[bis(3-methylbutyl)amino]propanamide
SMILESCC(C)CCN(CCC(N)=O)CCC(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)5-8-15(9-6-12(3)4)10-7-13(14)16/h11-12H,5-10H2,1-4H3,(H2,14,16)
InChIKeyVUAOLUCDPKMQDV-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.26
Rot. Bonds9

About 3-[bis(3-methylbutyl)amino]propanamide

3-[bis(3-methylbutyl)amino]propanamide (PubChem CID 103601317) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)amino]propanamide.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)amino]propanamide
PubChem CID103601317
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[bis(3-methylbutyl)amino]propanamide
SMILESCC(C)CCN(CCC(N)=O)CCC(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)5-8-15(9-6-12(3)4)10-7-13(14)16/h11-12H,5-10H2,1-4H3,(H2,14,16)
InChIKeyVUAOLUCDPKMQDV-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide
CID 54081954
4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
CID 121263417
3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429
3-[bis[3-(diethylamino)propyl]amino]propanamide
CID 87989478
3-[bis(3-aminopropyl)amino]propanamide
CID 88922422
4,7-dimethyloctanamide
CID 16638041
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
6-hydroxyhexyl 3-[4-hydroxybutyl(3-methylbutyl)amino]propanoate
CID 138538334

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)amino]propanamide?
The IUPAC name of 3-[bis(3-methylbutyl)amino]propanamide (CID 103601317) is 3-[bis(3-methylbutyl)amino]propanamide.
What is the SMILES notation for 3-[bis(3-methylbutyl)amino]propanamide?
The canonical SMILES for 3-[bis(3-methylbutyl)amino]propanamide is CC(C)CCN(CCC(N)=O)CCC(C)C.
What is the InChIKey of 3-[bis(3-methylbutyl)amino]propanamide?
The InChIKey is VUAOLUCDPKMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)5-8-15(9-6-12(3)4)10-7-13(14)16/h11-12H,5-10H2,1-4H3,(H2,14,16).
What are the key properties of 3-[bis(3-methylbutyl)amino]propanamide?
3-[bis(3-methylbutyl)amino]propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)amino]propanamide is sourced from PubChem (CID 103601317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).