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

C14H26N2O — CID 143356505

IUPACN,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
InChIInChI=1S/C14H26N2O/c1-7-8-14(4,5)11-13(17)16(6)10-9-15-12(2)3/h7,15H,1-2,8-11H2,3-6H3
InChIKeyYYGLIHQCRKARFP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.56
Rot. Bonds8

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

N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide (PubChem CID 143356505) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide
PubChem CID143356505
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN,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
InChIInChI=1S/C14H26N2O/c1-7-8-14(4,5)11-13(17)16(6)10-9-15-12(2)3/h7,15H,1-2,8-11H2,3-6H3
InChIKeyYYGLIHQCRKARFP-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide
CID 143357551
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ethyl N-(2,2-dimethylpent-4-enyl)carbamate
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CID 14140204

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
The IUPAC name of N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide (CID 143356505) is N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide.
What is the SMILES notation for N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
The canonical SMILES for 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.
What is the InChIKey of N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
The InChIKey is YYGLIHQCRKARFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-7-8-14(4,5)11-13(17)16(6)10-9-15-12(2)3/h7,15H,1-2,8-11H2,3-6H3.
What are the key properties of N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide?
N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide has a molecular weight of 238.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide is sourced from PubChem (CID 143356505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).