N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide

C14H27NO3 — CID 91219495

IUPACN,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)N(CCO)CCO
InChIInChI=1S/C14H27NO3/c1-12(2)5-4-6-13(3)11-14(18)15(7-9-16)8-10-17/h5,13,16-17H,4,6-11H2,1-3H3
InChIKeyOBKIPUDGAXNLHT-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.57
Rot. Bonds9

About N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide

N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide (PubChem CID 91219495) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
PubChem CID91219495
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)N(CCO)CCO
InChIInChI=1S/C14H27NO3/c1-12(2)5-4-6-13(3)11-14(18)15(7-9-16)8-10-17/h5,13,16-17H,4,6-11H2,1-3H3
InChIKeyOBKIPUDGAXNLHT-UHFFFAOYSA-N
XLogP1.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide (CID 91219495) is N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide is CC(C)=CCCC(C)CC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
The InChIKey is OBKIPUDGAXNLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2)5-4-6-13(3)11-14(18)15(7-9-16)8-10-17/h5,13,16-17H,4,6-11H2,1-3H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide has a molecular weight of 257.37 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide is sourced from PubChem (CID 91219495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).