4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide

C11H20N2O — CID 81070887

IUPAC4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CC(C)CN
InChIInChI=1S/C11H20N2O/c1-4-6-13(7-5-2)11(14)8-10(3)9-12/h4-5,10H,1-2,6-9,12H2,3H3
InChIKeyITTSXXRGJCVTJJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.17
Rot. Bonds7

About 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide

4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 81070887) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID81070887
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)CC(C)CN
InChIInChI=1S/C11H20N2O/c1-4-6-13(7-5-2)11(14)8-10(3)9-12/h4-5,10H,1-2,6-9,12H2,3H3
InChIKeyITTSXXRGJCVTJJ-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.17
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

2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 66225906
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
4-amino-N-butan-2-yl-N,3-dimethylbutanamide
CID 81072119
2-[[2-(aminomethyl)-3-methylbutanoyl]-prop-2-enylamino]acetic acid
CID 79263608
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide (CID 81070887) is 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)CC(C)CN.
What is the InChIKey of 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is ITTSXXRGJCVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-13(7-5-2)11(14)8-10(3)9-12/h4-5,10H,1-2,6-9,12H2,3H3.
What are the key properties of 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide?
4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 196.29 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 81070887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).