N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide

C13H26N2O — CID 166651273

IUPACN-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)C(C)(CC)CCC
InChIInChI=1S/C13H26N2O/c1-6-9-13(4,8-3)15(5)11-10-14-12(16)7-2/h7H,2,6,8-11H2,1,3-5H3,(H,14,16)
InChIKeyZJWWRAABCQSNIZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.19
Rot. Bonds8

About N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide

N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide (PubChem CID 166651273) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide
PubChem CID166651273
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)C(C)(CC)CCC
InChIInChI=1S/C13H26N2O/c1-6-9-13(4,8-3)15(5)11-10-14-12(16)7-2/h7H,2,6,8-11H2,1,3-5H3,(H,14,16)
InChIKeyZJWWRAABCQSNIZ-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide (CID 166651273) is N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(C)C(C)(CC)CCC.
What is the InChIKey of N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide?
The InChIKey is ZJWWRAABCQSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-9-13(4,8-3)15(5)11-10-14-12(16)7-2/h7H,2,6,8-11H2,1,3-5H3,(H,14,16).
What are the key properties of N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide?
N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 166651273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).