N-ethylethanamine;2-methylhept-2-enamide

C12H26N2O — CID 139534833

IUPACN-ethylethanamine;2-methylhept-2-enamide
SMILESCCCCC=C(C)C(N)=O.CCNCC
InChIInChI=1S/C8H15NO.C4H11N/c1-3-4-5-6-7(2)8(9)10;1-3-5-4-2/h6H,3-5H2,1-2H3,(H2,9,10);5H,3-4H2,1-2H3
InChIKeyDTDURHRDYAQBNR-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.22
Rot. Bonds6

About N-ethylethanamine;2-methylhept-2-enamide

N-ethylethanamine;2-methylhept-2-enamide (PubChem CID 139534833) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethylethanamine;2-methylhept-2-enamide.

Molecular Properties

Compound NameN-ethylethanamine;2-methylhept-2-enamide
PubChem CID139534833
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethylethanamine;2-methylhept-2-enamide
SMILESCCCCC=C(C)C(N)=O.CCNCC
InChIInChI=1S/C8H15NO.C4H11N/c1-3-4-5-6-7(2)8(9)10;1-3-5-4-2/h6H,3-5H2,1-2H3,(H2,9,10);5H,3-4H2,1-2H3
InChIKeyDTDURHRDYAQBNR-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethylethanamine;2-methylhept-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylhept-2-enamide;oxolane
CID 174959679
2-methylhex-2-enamide;hydrochloride
CID 141109029
6-amino-2-methylhex-2-enamide
CID 54113800
2-methylhex-2-enamide;propan-1-amine
CID 174435970
11-hydroxy-2-methylundec-2-enamide
CID 141296717
methyl (E)-2-methylhept-2-enoate
CID 13122847
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2-methylhept-2-enamide?
The IUPAC name of N-ethylethanamine;2-methylhept-2-enamide (CID 139534833) is N-ethylethanamine;2-methylhept-2-enamide.
What is the SMILES notation for N-ethylethanamine;2-methylhept-2-enamide?
The canonical SMILES for N-ethylethanamine;2-methylhept-2-enamide is CCCCC=C(C)C(N)=O.CCNCC.
What is the InChIKey of N-ethylethanamine;2-methylhept-2-enamide?
The InChIKey is DTDURHRDYAQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C4H11N/c1-3-4-5-6-7(2)8(9)10;1-3-5-4-2/h6H,3-5H2,1-2H3,(H2,9,10);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;2-methylhept-2-enamide?
N-ethylethanamine;2-methylhept-2-enamide has a molecular weight of 214.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-methylhept-2-enamide is sourced from PubChem (CID 139534833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).