2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide

C11H22N2O — CID 106547161

IUPAC2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)=CCNCC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)5-6-12-8-11(14)13-7-10(3)4/h5,10,12H,6-8H2,1-4H3,(H,13,14)
InChIKeyTXSJAZUEGLTQAI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.31
Rot. Bonds6

About 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide

2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide (PubChem CID 106547161) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
PubChem CID106547161
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)=CCNCC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)5-6-12-8-11(14)13-7-10(3)4/h5,10,12H,6-8H2,1-4H3,(H,13,14)
InChIKeyTXSJAZUEGLTQAI-UHFFFAOYSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
CID 107900289
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745
(Z)-2-methyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]but-2-enoic acid
CID 103263353
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
CID 106133696
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
CID 114493558
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide (CID 106547161) is 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide is CC(C)=CCNCC(=O)NCC(C)C.
What is the InChIKey of 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is TXSJAZUEGLTQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)5-6-12-8-11(14)13-7-10(3)4/h5,10,12H,6-8H2,1-4H3,(H,13,14).
What are the key properties of 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide?
2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106547161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).