N-butyl-6-cyclohex-2-en-1-ylhexanamide

C16H29NO — CID 71438469

IUPACN-butyl-6-cyclohex-2-en-1-ylhexanamide
SMILESCCCCNC(=O)CCCCCC1C=CCCC1
InChIInChI=1S/C16H29NO/c1-2-3-14-17-16(18)13-9-5-8-12-15-10-6-4-7-11-15/h6,10,15H,2-5,7-9,11-14H2,1H3,(H,17,18)
InChIKeyXJLUDYZZBKQZRN-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.21
Rot. Bonds9

About N-butyl-6-cyclohex-2-en-1-ylhexanamide

N-butyl-6-cyclohex-2-en-1-ylhexanamide (PubChem CID 71438469) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-butyl-6-cyclohex-2-en-1-ylhexanamide.

Molecular Properties

Compound NameN-butyl-6-cyclohex-2-en-1-ylhexanamide
PubChem CID71438469
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-butyl-6-cyclohex-2-en-1-ylhexanamide
SMILESCCCCNC(=O)CCCCCC1C=CCCC1
InChIInChI=1S/C16H29NO/c1-2-3-14-17-16(18)13-9-5-8-12-15-10-6-4-7-11-15/h6,10,15H,2-5,7-9,11-14H2,1H3,(H,17,18)
InChIKeyXJLUDYZZBKQZRN-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-cyclohex-2-en-1-ylhexanamide?
The IUPAC name of N-butyl-6-cyclohex-2-en-1-ylhexanamide (CID 71438469) is N-butyl-6-cyclohex-2-en-1-ylhexanamide.
What is the SMILES notation for N-butyl-6-cyclohex-2-en-1-ylhexanamide?
The canonical SMILES for N-butyl-6-cyclohex-2-en-1-ylhexanamide is CCCCNC(=O)CCCCCC1C=CCCC1.
What is the InChIKey of N-butyl-6-cyclohex-2-en-1-ylhexanamide?
The InChIKey is XJLUDYZZBKQZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-14-17-16(18)13-9-5-8-12-15-10-6-4-7-11-15/h6,10,15H,2-5,7-9,11-14H2,1H3,(H,17,18).
What are the key properties of N-butyl-6-cyclohex-2-en-1-ylhexanamide?
N-butyl-6-cyclohex-2-en-1-ylhexanamide has a molecular weight of 251.41 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-cyclohex-2-en-1-ylhexanamide is sourced from PubChem (CID 71438469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).