4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one

C16H30N2O — CID 57314224

IUPAC4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one
SMILESCCNC(C)CC1(CC(C)NCC)C=CC(=O)CC1
InChIInChI=1S/C16H30N2O/c1-5-17-13(3)11-16(12-14(4)18-6-2)9-7-15(19)8-10-16/h7,9,13-14,17-18H,5-6,8,10-12H2,1-4H3
InChIKeyAZTHATHDOJIERB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.67
Rot. Bonds8

About 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one

4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one (PubChem CID 57314224) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one
PubChem CID57314224
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one
SMILESCCNC(C)CC1(CC(C)NCC)C=CC(=O)CC1
InChIInChI=1S/C16H30N2O/c1-5-17-13(3)11-16(12-14(4)18-6-2)9-7-15(19)8-10-16/h7,9,13-14,17-18H,5-6,8,10-12H2,1-4H3
InChIKeyAZTHATHDOJIERB-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one?
The IUPAC name of 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one (CID 57314224) is 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one?
The canonical SMILES for 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one is CCNC(C)CC1(CC(C)NCC)C=CC(=O)CC1.
What is the InChIKey of 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one?
The InChIKey is AZTHATHDOJIERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-17-13(3)11-16(12-14(4)18-6-2)9-7-15(19)8-10-16/h7,9,13-14,17-18H,5-6,8,10-12H2,1-4H3.
What are the key properties of 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one?
4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[2-(ethylamino)propyl]cyclohex-2-en-1-one is sourced from PubChem (CID 57314224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).