4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one

C17H30N2O — CID 57258674

IUPAC4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(CC(C)NCC)(CC(C)NCC)C=CC1=O
InChIInChI=1S/C17H30N2O/c1-6-18-14(4)11-17(12-15(5)19-7-2)9-8-16(20)13(3)10-17/h8-9,14-15,18-19H,3,6-7,10-12H2,1-2,4-5H3
InChIKeyMQZDFMPMOLZSLI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.83
Rot. Bonds8

About 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one

4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one (PubChem CID 57258674) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one
PubChem CID57258674
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one
SMILESC=C1CC(CC(C)NCC)(CC(C)NCC)C=CC1=O
InChIInChI=1S/C17H30N2O/c1-6-18-14(4)11-17(12-15(5)19-7-2)9-8-16(20)13(3)10-17/h8-9,14-15,18-19H,3,6-7,10-12H2,1-2,4-5H3
InChIKeyMQZDFMPMOLZSLI-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one?
The IUPAC name of 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one (CID 57258674) is 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one.
What is the SMILES notation for 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one?
The canonical SMILES for 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one is C=C1CC(CC(C)NCC)(CC(C)NCC)C=CC1=O.
What is the InChIKey of 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one?
The InChIKey is MQZDFMPMOLZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-18-14(4)11-17(12-15(5)19-7-2)9-8-16(20)13(3)10-17/h8-9,14-15,18-19H,3,6-7,10-12H2,1-2,4-5H3.
What are the key properties of 4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one?
4,4-bis[2-(ethylamino)propyl]-6-methylidenecyclohex-2-en-1-one has a molecular weight of 278.44 g/mol, XLogP of 2.83, 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]-6-methylidenecyclohex-2-en-1-one is sourced from PubChem (CID 57258674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).