3,3,5-trimethyl-2-methylidenehexanamide

C10H19NO — CID 139781680

IUPAC3,3,5-trimethyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)(C)CC(C)C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(4,5)8(3)9(11)12/h7H,3,6H2,1-2,4-5H3,(H2,11,12)
InChIKeyRQALQJLEZAZAKI-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.10
Rot. Bonds4

About 3,3,5-trimethyl-2-methylidenehexanamide

3,3,5-trimethyl-2-methylidenehexanamide (PubChem CID 139781680) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,3,5-trimethyl-2-methylidenehexanamide.

Molecular Properties

Compound Name3,3,5-trimethyl-2-methylidenehexanamide
PubChem CID139781680
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,3,5-trimethyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)(C)CC(C)C
InChIInChI=1S/C10H19NO/c1-7(2)6-10(4,5)8(3)9(11)12/h7H,3,6H2,1-2,4-5H3,(H2,11,12)
InChIKeyRQALQJLEZAZAKI-UHFFFAOYSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,3,5-trimethyl-2-methylidenehexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,5,5-tetramethyl-2-methylidenehexanamide
CID 19097995
sodium;3-carbamoyl-2,2-dimethylbut-3-ene-1-sulfonic acid;hydride
CID 173022202
3,3,5-trimethylhexan-2-one
CID 2776079
2,2,4-trimethylpentanethioamide
CID 126620843
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine
CID 163596317
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-2-methylidenehexanamide?
The IUPAC name of 3,3,5-trimethyl-2-methylidenehexanamide (CID 139781680) is 3,3,5-trimethyl-2-methylidenehexanamide.
What is the SMILES notation for 3,3,5-trimethyl-2-methylidenehexanamide?
The canonical SMILES for 3,3,5-trimethyl-2-methylidenehexanamide is C=C(C(N)=O)C(C)(C)CC(C)C.
What is the InChIKey of 3,3,5-trimethyl-2-methylidenehexanamide?
The InChIKey is RQALQJLEZAZAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)6-10(4,5)8(3)9(11)12/h7H,3,6H2,1-2,4-5H3,(H2,11,12).
What are the key properties of 3,3,5-trimethyl-2-methylidenehexanamide?
3,3,5-trimethyl-2-methylidenehexanamide has a molecular weight of 169.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-2-methylidenehexanamide is sourced from PubChem (CID 139781680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).