N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide

C14H30N2O — CID 130379782

IUPACN-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
SMILESCC(C)CC(C(=O)NCCCN(C)C)C(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)10-13(12(3)4)14(17)15-8-7-9-16(5)6/h11-13H,7-10H2,1-6H3,(H,15,17)
InChIKeyXYQUMHVENWUCOO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.37
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide

N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide (PubChem CID 130379782) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
PubChem CID130379782
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
SMILESCC(C)CC(C(=O)NCCCN(C)C)C(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)10-13(12(3)4)14(17)15-8-7-9-16(5)6/h11-13H,7-10H2,1-6H3,(H,15,17)
InChIKeyXYQUMHVENWUCOO-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.37
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-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium
CID 87523396
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide
CID 146587303
2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
CID 91693980
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
2-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
CID 62637183
2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110316878
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide (CID 130379782) is N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide is CC(C)CC(C(=O)NCCCN(C)C)C(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide?
The InChIKey is XYQUMHVENWUCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)10-13(12(3)4)14(17)15-8-7-9-16(5)6/h11-13H,7-10H2,1-6H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide?
N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 130379782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).