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

C13H26N2O — CID 103520462

IUPAC2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
SMILESCC(C)=CCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)6-8-14-12(5)13(16)15-9-7-11(3)4/h6,11-12,14H,7-9H2,1-5H3,(H,15,16)
InChIKeyDWNCYAPMYLRNSV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.09
Rot. Bonds7

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

2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide (PubChem CID 103520462) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
PubChem CID103520462
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
SMILESCC(C)=CCNC(C)C(=O)NCCC(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)6-8-14-12(5)13(16)15-9-7-11(3)4/h6,11-12,14H,7-9H2,1-5H3,(H,15,16)
InChIKeyDWNCYAPMYLRNSV-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
CID 103520475
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
CID 113494710
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide
CID 103520478
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
(Z)-4-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]-2-methylbut-2-enoic acid
CID 103262873
1,3-bis(3-methylbutyl)urea
CID 22563958
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide (CID 103520462) is 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide is CC(C)=CCNC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide?
The InChIKey is DWNCYAPMYLRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)6-8-14-12(5)13(16)15-9-7-11(3)4/h6,11-12,14H,7-9H2,1-5H3,(H,15,16).
What are the key properties of 2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide?
2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.09, 7 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 103520462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).