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

C12H22N2O — CID 76892270

IUPAC2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-6-8-14(9-7-2)11(15)10(13)12(3,4)5/h6-7,10H,1-2,8-9,13H2,3-5H3
InChIKeyYLCDCDILFZYHKE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.56
Rot. Bonds5

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

2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 76892270) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID76892270
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-6-8-14(9-7-2)11(15)10(13)12(3,4)5/h6-7,10H,1-2,8-9,13H2,3-5H3
InChIKeyYLCDCDILFZYHKE-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.56
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

(2S)-2-amino-N-(cyanomethyl)-3,3-dimethyl-N-(prop-2-en-1-yl)butanamide
CID 23645885
(S)-2-amino-N,N-diethyl-3,3-dimethylbutanamide
CID 25067345
(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide
CID 61154062
(2S)-2-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 28197686
(S,S) 1-(2-Amino-3,3-dimethyl-butyryl)-2,5-dihydro-1H-pyrrole-2-carbonitrile
CID 9859131
(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
CID 11745942
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
1-(2-Amino-3,3-dimethylbutanoyl)-2,5-dihydropyrrole-2-carbonitrile
CID 18772252
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide
CID 58594164
(2S)-2-amino-N-[(3S)-2,5-dimethylhex-4-en-3-yl]-N,3,3-trimethylbutanamide
CID 58666496
N-but-3-en-2-yl-2-isocyano-3,3-dimethylbutanamide
CID 59109317
[(2S)-1-[[(3S)-2,5-dimethylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]azanium
CID 60037181

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide (CID 76892270) is 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is YLCDCDILFZYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-8-14(9-7-2)11(15)10(13)12(3,4)5/h6-7,10H,1-2,8-9,13H2,3-5H3.
What are the key properties of 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide?
2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 210.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 76892270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).