6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide

C14H25N3O — CID 23324081

IUPAC6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)CCCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C14H25N3O/c1-3-17(4-2)11-7-10-14(13(16)18)9-6-5-8-12(14)15/h5-6,8-9,12H,3-4,7,10-11,15H2,1-2H3,(H2,16,18)
InChIKeyABTFOPRPCDSDJR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.03
Rot. Bonds7

About 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide

6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 23324081) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID23324081
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)CCCC1(C(N)=O)C=CC=CC1N
InChIInChI=1S/C14H25N3O/c1-3-17(4-2)11-7-10-14(13(16)18)9-6-5-8-12(14)15/h5-6,8-9,12H,3-4,7,10-11,15H2,1-2H3,(H2,16,18)
InChIKeyABTFOPRPCDSDJR-UHFFFAOYSA-N
XLogP1.03
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 23324081) is 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide is CCN(CC)CCCC1(C(N)=O)C=CC=CC1N.
What is the InChIKey of 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ABTFOPRPCDSDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17(4-2)11-7-10-14(13(16)18)9-6-5-8-12(14)15/h5-6,8-9,12H,3-4,7,10-11,15H2,1-2H3,(H2,16,18).
What are the key properties of 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 23324081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).