N-butan-2-yl-N-pentylhexanamide

C15H31NO — CID 153425236

IUPACN-butan-2-yl-N-pentylhexanamide
SMILESCCCCCC(=O)N(CCCCC)C(C)CC
InChIInChI=1S/C15H31NO/c1-5-8-10-12-15(17)16(14(4)7-3)13-11-9-6-2/h14H,5-13H2,1-4H3
InChIKeyHSUCSNVQAGPIMG-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.38
Rot. Bonds10

About N-butan-2-yl-N-pentylhexanamide

N-butan-2-yl-N-pentylhexanamide (PubChem CID 153425236) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-butan-2-yl-N-pentylhexanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-pentylhexanamide
PubChem CID153425236
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-butan-2-yl-N-pentylhexanamide
SMILESCCCCCC(=O)N(CCCCC)C(C)CC
InChIInChI=1S/C15H31NO/c1-5-8-10-12-15(17)16(14(4)7-3)13-11-9-6-2/h14H,5-13H2,1-4H3
InChIKeyHSUCSNVQAGPIMG-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.38
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,N-Dimethylhexanamide
CID 22084
1-(Pyrrolidin-1-yl)hexan-1-one
CID 246835
1-Hexanoylpiperidine
CID 246831
Diethyl caprylamide
CID 70456
N,N-Diethyldecanamide
CID 304087
1-Ethylazepan-2-one
CID 29779
n,n-Dihexylacetamide
CID 243972
N,N-diethylnonanamide
CID 303119
N,N-Dibutylhexanamide
CID 304113
Hexanamide, N-isopropyl
CID 528620
N,N-bis[4-(dimethylamino)butyl]hexanamide
CID 423377
5-(dimethylamino)-N,N-dimethylhexanamide
CID 44570053

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-pentylhexanamide?
The IUPAC name of N-butan-2-yl-N-pentylhexanamide (CID 153425236) is N-butan-2-yl-N-pentylhexanamide.
What is the SMILES notation for N-butan-2-yl-N-pentylhexanamide?
The canonical SMILES for N-butan-2-yl-N-pentylhexanamide is CCCCCC(=O)N(CCCCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-pentylhexanamide?
The InChIKey is HSUCSNVQAGPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-8-10-12-15(17)16(14(4)7-3)13-11-9-6-2/h14H,5-13H2,1-4H3.
What are the key properties of N-butan-2-yl-N-pentylhexanamide?
N-butan-2-yl-N-pentylhexanamide has a molecular weight of 241.42 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-pentylhexanamide is sourced from PubChem (CID 153425236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).