N,N-dibutyl-2-methylhept-6-enamide

C16H31NO — CID 21313270

IUPACN,N-dibutyl-2-methylhept-6-enamide
SMILESC=CCCCC(C)C(=O)N(CCCC)CCCC
InChIInChI=1S/C16H31NO/c1-5-8-11-12-15(4)16(18)17(13-9-6-2)14-10-7-3/h5,15H,1,6-14H2,2-4H3
InChIKeyRRCSTRBHFPROOR-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.41
Rot. Bonds11

About N,N-dibutyl-2-methylhept-6-enamide

N,N-dibutyl-2-methylhept-6-enamide (PubChem CID 21313270) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N,N-dibutyl-2-methylhept-6-enamide.

Molecular Properties

Compound NameN,N-dibutyl-2-methylhept-6-enamide
PubChem CID21313270
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN,N-dibutyl-2-methylhept-6-enamide
SMILESC=CCCCC(C)C(=O)N(CCCC)CCCC
InChIInChI=1S/C16H31NO/c1-5-8-11-12-15(4)16(18)17(13-9-6-2)14-10-7-3/h5,15H,1,6-14H2,2-4H3
InChIKeyRRCSTRBHFPROOR-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
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,N-dibutyl-2-methylhept-6-enamide?
The IUPAC name of N,N-dibutyl-2-methylhept-6-enamide (CID 21313270) is N,N-dibutyl-2-methylhept-6-enamide.
What is the SMILES notation for N,N-dibutyl-2-methylhept-6-enamide?
The canonical SMILES for N,N-dibutyl-2-methylhept-6-enamide is C=CCCCC(C)C(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-methylhept-6-enamide?
The InChIKey is RRCSTRBHFPROOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-8-11-12-15(4)16(18)17(13-9-6-2)14-10-7-3/h5,15H,1,6-14H2,2-4H3.
What are the key properties of N,N-dibutyl-2-methylhept-6-enamide?
N,N-dibutyl-2-methylhept-6-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-methylhept-6-enamide is sourced from PubChem (CID 21313270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).