N-butyl-3,3-dimethyl-N-pentylbutanamide

C15H31NO — CID 18736050

IUPACN-butyl-3,3-dimethyl-N-pentylbutanamide
SMILESCCCCCN(CCCC)C(=O)CC(C)(C)C
InChIInChI=1S/C15H31NO/c1-6-8-10-12-16(11-9-7-2)14(17)13-15(3,4)5/h6-13H2,1-5H3
InChIKeyMMYDRDXJBPKVQV-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.24
Rot. Bonds8

About N-butyl-3,3-dimethyl-N-pentylbutanamide

N-butyl-3,3-dimethyl-N-pentylbutanamide (PubChem CID 18736050) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-pentylbutanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-pentylbutanamide
PubChem CID18736050
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-butyl-3,3-dimethyl-N-pentylbutanamide
SMILESCCCCCN(CCCC)C(=O)CC(C)(C)C
InChIInChI=1S/C15H31NO/c1-6-8-10-12-16(11-9-7-2)14(17)13-15(3,4)5/h6-13H2,1-5H3
InChIKeyMMYDRDXJBPKVQV-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
N-butyl-N-[5-(butylamino)pentyl]-3,3-dimethylbutanamide
CID 58848837
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
CID 58848104
N-(3-aminopropyl)-3,3-dimethyl-N-propylbutanamide
CID 43136576
N-butyl-3,3-dimethyl-N-(5-morpholin-4-ylpentyl)butanamide
CID 58848463
N-butyl-N-octyldecanamide
CID 18913402
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-pentylbutanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-pentylbutanamide (CID 18736050) is N-butyl-3,3-dimethyl-N-pentylbutanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-pentylbutanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-pentylbutanamide is CCCCCN(CCCC)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-pentylbutanamide?
The InChIKey is MMYDRDXJBPKVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-8-10-12-16(11-9-7-2)14(17)13-15(3,4)5/h6-13H2,1-5H3.
What are the key properties of N-butyl-3,3-dimethyl-N-pentylbutanamide?
N-butyl-3,3-dimethyl-N-pentylbutanamide has a molecular weight of 241.42 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-pentylbutanamide is sourced from PubChem (CID 18736050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).