(2S)-N,N,2-trimethylhept-6-enamide

C10H19NO — CID 89146514

IUPAC(2S)-N,N,2-trimethylhept-6-enamide
SMILESC=CCCC[C@H](C)C(=O)N(C)C
InChIInChI=1S/C10H19NO/c1-5-6-7-8-9(2)10(12)11(3)4/h5,9H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKeyKGWYIWNPSLSXCF-VIFPVBQESA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds5

About (2S)-N,N,2-trimethylhept-6-enamide

(2S)-N,N,2-trimethylhept-6-enamide (PubChem CID 89146514) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-N,N,2-trimethylhept-6-enamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethylhept-6-enamide
PubChem CID89146514
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-N,N,2-trimethylhept-6-enamide
SMILESC=CCCC[C@H](C)C(=O)N(C)C
InChIInChI=1S/C10H19NO/c1-5-6-7-8-9(2)10(12)11(3)4/h5,9H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKeyKGWYIWNPSLSXCF-VIFPVBQESA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
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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Related Compounds

(2R)-2-methylnon-8-enoic acid
CID 129385535
dioxane;2-methylhept-6-enoic acid
CID 174547200
(Z)-N,N,2-trimethyloct-5-enamide
CID 150696751
(3S)-N,N-dimethyl-3-propyloct-7-enamide
CID 134962587
1-(dimethylamino)hex-5-en-1-ol
CID 145136938
methyl (2R)-2-methylnon-8-enoate
CID 58289580
(2R,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
CID 134872524
iodo 2-methyldec-9-enoate
CID 87697423
ethyl 2-(1-hydroxyethyl)hept-6-enoate
CID 10726713
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
2-(2-but-3-en-2-ylhept-6-enyl)propanedioic acid
CID 91613990
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethylhept-6-enamide?
The IUPAC name of (2S)-N,N,2-trimethylhept-6-enamide (CID 89146514) is (2S)-N,N,2-trimethylhept-6-enamide.
What is the SMILES notation for (2S)-N,N,2-trimethylhept-6-enamide?
The canonical SMILES for (2S)-N,N,2-trimethylhept-6-enamide is C=CCCC[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N,2-trimethylhept-6-enamide?
The InChIKey is KGWYIWNPSLSXCF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-7-8-9(2)10(12)11(3)4/h5,9H,1,6-8H2,2-4H3/t9-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethylhept-6-enamide?
(2S)-N,N,2-trimethylhept-6-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethylhept-6-enamide is sourced from PubChem (CID 89146514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).