(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one

C14H27NO — CID 87616879

IUPAC(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one
SMILESCCCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-8-9-15-11(13(2,3)4)10-12(16)14(5,6)7/h10,15H,8-9H2,1-7H3/b11-10-
InChIKeyIJIGWGYEIZDDID-KHPPLWFESA-N
MW225.38 g/mol
LogP3.53
Rot. Bonds4

About (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one

(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one (PubChem CID 87616879) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one.

Molecular Properties

Compound Name(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one
PubChem CID87616879
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one
SMILESCCCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-8-9-15-11(13(2,3)4)10-12(16)14(5,6)7/h10,15H,8-9H2,1-7H3/b11-10-
InChIKeyIJIGWGYEIZDDID-KHPPLWFESA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one?
The IUPAC name of (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one (CID 87616879) is (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one.
What is the SMILES notation for (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one?
The canonical SMILES for (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one is CCCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one?
The InChIKey is IJIGWGYEIZDDID-KHPPLWFESA-N. The full InChI is InChI=1S/C14H27NO/c1-8-9-15-11(13(2,3)4)10-12(16)14(5,6)7/h10,15H,8-9H2,1-7H3/b11-10-.
What are the key properties of (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one?
(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one has a molecular weight of 225.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one is sourced from PubChem (CID 87616879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).