2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide

C13H24N2O — CID 115431597

IUPAC2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(CC)(CC)CN
InChIInChI=1S/C13H24N2O/c1-5-9-15(10-6-2)12(16)13(7-3,8-4)11-14/h5-6H,1-2,7-11,14H2,3-4H3
InChIKeyVOFXUENMSFXOCY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.95
Rot. Bonds8

About 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide

2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 115431597) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID115431597
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(CC)(CC)CN
InChIInChI=1S/C13H24N2O/c1-5-9-15(10-6-2)12(16)13(7-3,8-4)11-14/h5-6H,1-2,7-11,14H2,3-4H3
InChIKeyVOFXUENMSFXOCY-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.95
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

5-(aminomethyl)-5-ethylhept-1-en-4-one
CID 116603694
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
CID 115760359
2-[[2-(aminomethyl)-2-ethylbutanoyl]-propylamino]acetic acid
CID 113308947
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
N,N,2,2-tetraethylbutanamide
CID 12732157
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
CID 78983348

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide (CID 115431597) is 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is VOFXUENMSFXOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-9-15(10-6-2)12(16)13(7-3,8-4)11-14/h5-6H,1-2,7-11,14H2,3-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide?
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 224.35 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 115431597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).