N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine

C16H28N2O2 — CID 143224152

IUPACN-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
SMILESCCN(C)C=O.COC1=CC=CC(C(C)N(C)C)=CC1
InChIInChI=1S/C12H19NO.C4H9NO/c1-10(13(2)3)11-6-5-7-12(14-4)9-8-11;1-3-5(2)4-6/h5-8,10H,9H2,1-4H3;4H,3H2,1-2H3
InChIKeyZKFOUWYPDIDMOB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine

N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine (PubChem CID 143224152) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound NameN-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
PubChem CID143224152
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
SMILESCCN(C)C=O.COC1=CC=CC(C(C)N(C)C)=CC1
InChIInChI=1S/C12H19NO.C4H9NO/c1-10(13(2)3)11-6-5-7-12(14-4)9-8-11;1-3-5(2)4-6/h5-8,10H,9H2,1-4H3;4H,3H2,1-2H3
InChIKeyZKFOUWYPDIDMOB-UHFFFAOYSA-N
XLogP2.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,4E,5Z)-7-methoxy-8-methyl-4-propylidenenona-5,7-dien-3-yl]-N-propan-2-ylformamide
CID 173722204
1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
CID 143224153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine (CID 143224152) is N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine is CCN(C)C=O.COC1=CC=CC(C(C)N(C)C)=CC1.
What is the InChIKey of N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
The InChIKey is ZKFOUWYPDIDMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C4H9NO/c1-10(13(2)3)11-6-5-7-12(14-4)9-8-11;1-3-5(2)4-6/h5-8,10H,9H2,1-4H3;4H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 143224152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).