ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide

C20H42N2O — CID 143356504

IUPACethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide
SMILESC=CCC(C)(C)CC(=O)N(C)CCNC(=C)C.CC.CC(C)C
InChIInChI=1S/C14H26N2O.C4H10.C2H6/c1-7-8-14(4,5)11-13(17)16(6)10-9-15-12(2)3;1-4(2)3;1-2/h7,15H,1-2,8-11H2,3-6H3;4H,1-3H3;1-2H3
InChIKeyKTOLAMVWKWAQRI-UHFFFAOYSA-N
MW326.57 g/mol
LogP5.25
Rot. Bonds8

About ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide

ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide (PubChem CID 143356504) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide.

Molecular Properties

Compound Nameethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide
PubChem CID143356504
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Nameethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide
SMILESC=CCC(C)(C)CC(=O)N(C)CCNC(=C)C.CC.CC(C)C
InChIInChI=1S/C14H26N2O.C4H10.C2H6/c1-7-8-14(4,5)11-13(17)16(6)10-9-15-12(2)3;1-4(2)3;1-2/h7,15H,1-2,8-11H2,3-6H3;4H,1-3H3;1-2H3
InChIKeyKTOLAMVWKWAQRI-UHFFFAOYSA-N
XLogP5.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
The IUPAC name of ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide (CID 143356504) is ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide.
What is the SMILES notation for ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
The canonical SMILES for ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide is C=CCC(C)(C)CC(=O)N(C)CCNC(=C)C.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
The InChIKey is KTOLAMVWKWAQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C4H10.C2H6/c1-7-8-14(4,5)11-13(17)16(6)10-9-15-12(2)3;1-4(2)3;1-2/h7,15H,1-2,8-11H2,3-6H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide has a molecular weight of 326.57 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide is sourced from PubChem (CID 143356504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).