N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide

C14H31N3O — CID 55006991

IUPACN-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
SMILESCC(N(C)CCC(=O)N(C)CCCN)C(C)(C)C
InChIInChI=1S/C14H31N3O/c1-12(14(2,3)4)16(5)11-8-13(18)17(6)10-7-9-15/h12H,7-11,15H2,1-6H3
InChIKeyOHFFVKBRROJPJI-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.55
Rot. Bonds7

About N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide

N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide (PubChem CID 55006991) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
PubChem CID55006991
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
SMILESCC(N(C)CCC(=O)N(C)CCCN)C(C)(C)C
InChIInChI=1S/C14H31N3O/c1-12(14(2,3)4)16(5)11-8-13(18)17(6)10-7-9-15/h12H,7-11,15H2,1-6H3
InChIKeyOHFFVKBRROJPJI-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide (CID 55006991) is N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide is CC(N(C)CCC(=O)N(C)CCCN)C(C)(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide?
The InChIKey is OHFFVKBRROJPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(14(2,3)4)16(5)11-8-13(18)17(6)10-7-9-15/h12H,7-11,15H2,1-6H3.
What are the key properties of N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide?
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide has a molecular weight of 257.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 55006991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).