2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide

C12H24N2O — CID 112555851

IUPAC2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
SMILESC=CCN(CCC)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-6-8-14(9-7-2)11(15)10(13)12(3,4)5/h6,10H,1,7-9,13H2,2-5H3
InChIKeyTZRYOXQUXDXYKQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide

2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide (PubChem CID 112555851) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
PubChem CID112555851
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
SMILESC=CCN(CCC)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-6-8-14(9-7-2)11(15)10(13)12(3,4)5/h6,10H,1,7-9,13H2,2-5H3
InChIKeyTZRYOXQUXDXYKQ-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
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-amino-3,3-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 76892270
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-prop-2-enylamino]acetic acid
CID 103930166
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
CID 103339953
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide (CID 112555851) is 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide is C=CCN(CCC)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide?
The InChIKey is TZRYOXQUXDXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-8-14(9-7-2)11(15)10(13)12(3,4)5/h6,10H,1,7-9,13H2,2-5H3.
What are the key properties of 2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide?
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.78, 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-prop-2-enyl-N-propylbutanamide is sourced from PubChem (CID 112555851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).