(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide

C16H31NO — CID 22796786

IUPAC(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide
SMILESCC(C)CCC[C@@H](C)C/C=C/[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C16H31NO/c1-13(2)9-7-10-14(3)11-8-12-15(4)16(18)17(5)6/h8,12-15H,7,9-11H2,1-6H3/b12-8+/t14-,15-/m1/s1
InChIKeyGMXKHROGRWUHIC-OFCDUSSDSA-N
MW253.43 g/mol
LogP4.12
Rot. Bonds8

About (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide

(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide (PubChem CID 22796786) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide.

Molecular Properties

Compound Name(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide
PubChem CID22796786
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide
SMILESCC(C)CCC[C@@H](C)C/C=C/[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C16H31NO/c1-13(2)9-7-10-14(3)11-8-12-15(4)16(18)17(5)6/h8,12-15H,7,9-11H2,1-6H3/b12-8+/t14-,15-/m1/s1
InChIKeyGMXKHROGRWUHIC-OFCDUSSDSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide with MolForge

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Related Compounds

(6R)-6,10-dimethylundec-3-en-2-ol
CID 54275646
[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
CID 54562793
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
CID 14368742
prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate
CID 54552604
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
3,7,11-trimethyldodecanal
CID 14420009
potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 23666617
2,6,10,14,19,23,27,31-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene
CID 85447618
(2E,4E)-7-methylundeca-2,4-dienoic acid
CID 19761491
propan-2-yl (7S)-2-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 123654534

Frequently Asked Questions

What is the IUPAC name of (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide?
The IUPAC name of (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide (CID 22796786) is (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide.
What is the SMILES notation for (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide?
The canonical SMILES for (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide is CC(C)CCC[C@@H](C)C/C=C/[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide?
The InChIKey is GMXKHROGRWUHIC-OFCDUSSDSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)9-7-10-14(3)11-8-12-15(4)16(18)17(5)6/h8,12-15H,7,9-11H2,1-6H3/b12-8+/t14-,15-/m1/s1.
What are the key properties of (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide?
(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide is sourced from PubChem (CID 22796786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).