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

C14H24N2O — CID 70510497

IUPAC1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)CCCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C14H24N2O/c1-3-16(4-2)12-8-11-14(13(15)17)9-6-5-7-10-14/h5-7,9H,3-4,8,10-12H2,1-2H3,(H2,15,17)
InChIKeySHYYLJKAEBWDNJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.10
Rot. Bonds7

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

1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70510497) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70510497
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)CCCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C14H24N2O/c1-3-16(4-2)12-8-11-14(13(15)17)9-6-5-7-10-14/h5-7,9H,3-4,8,10-12H2,1-2H3,(H2,15,17)
InChIKeySHYYLJKAEBWDNJ-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 70510497) is 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide is CCN(CC)CCCC1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is SHYYLJKAEBWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-16(4-2)12-8-11-14(13(15)17)9-6-5-7-10-14/h5-7,9H,3-4,8,10-12H2,1-2H3,(H2,15,17).
What are the key properties of 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70510497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).