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

C12H24N2O — CID 107900289

IUPAC3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)=CCNCCC(=O)NCC(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)5-7-13-8-6-12(15)14-9-11(3)4/h5,11,13H,6-9H2,1-4H3,(H,14,15)
InChIKeyRLVBUUUVEFKGHT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.70
Rot. Bonds7

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

3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide (PubChem CID 107900289) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
PubChem CID107900289
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)=CCNCCC(=O)NCC(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)5-7-13-8-6-12(15)14-9-11(3)4/h5,11,13H,6-9H2,1-4H3,(H,14,15)
InChIKeyRLVBUUUVEFKGHT-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.70
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

(Z)-2-methyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]but-2-enoic acid
CID 103263353
2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
CID 106547161
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-butan-2-yl-3-(3-methylbut-2-enylamino)propanamide
CID 103817602
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
CID 163614601

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide (CID 107900289) is 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide is CC(C)=CCNCCC(=O)NCC(C)C.
What is the InChIKey of 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is RLVBUUUVEFKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)5-7-13-8-6-12(15)14-9-11(3)4/h5,11,13H,6-9H2,1-4H3,(H,14,15).
What are the key properties of 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide?
3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107900289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).