1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide

C15H26N2O — CID 70509685

IUPAC1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)C(C)CCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)13(3)9-12-15(14(16)18)10-7-6-8-11-15/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H2,16,18)
InChIKeyIEZXEWATHXICOT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds7

About 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide

1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70509685) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70509685
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)C(C)CCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)13(3)9-12-15(14(16)18)10-7-6-8-11-15/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H2,16,18)
InChIKeyIEZXEWATHXICOT-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide (CID 70509685) is 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide is CCN(CC)C(C)CCC1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IEZXEWATHXICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(5-2)13(3)9-12-15(14(16)18)10-7-6-8-11-15/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H2,16,18).
What are the key properties of 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide?
1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)butyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70509685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).