(Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one

C16H32N2O — CID 59155347

IUPAC(Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCN(C)CCCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-15(2,3)13(12-14(19)16(4,5)6)17-10-9-11-18(7)8/h12,17H,9-11H2,1-8H3/b13-12-
InChIKeyXHAVZNAJKCYDHU-SEYXRHQNSA-N
MW268.44 g/mol
LogP3.07
Rot. Bonds6

About (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one

(Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one (PubChem CID 59155347) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one
PubChem CID59155347
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one
SMILESCN(C)CCCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-15(2,3)13(12-14(19)16(4,5)6)17-10-9-11-18(7)8/h12,17H,9-11H2,1-8H3/b13-12-
InChIKeyXHAVZNAJKCYDHU-SEYXRHQNSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylamino-2,2,6,6-tetramethyl-4-hepten-3-one
CID 129769139
(Z)-2,2,6,6-tetramethyl-5-(methylamino)hept-4-en-3-one
CID 166745383
(Z)-2,2-dimethyl-5-(propan-2-ylamino)hept-4-en-3-one
CID 21668302
(Z)-5-[2-(dimethylamino)ethylamino]-2,2,6,6-tetramethylhept-4-en-3-one
CID 59155340
2,2-Dimethyl-5-(propan-2-ylamino)hept-4-en-3-one
CID 73819042
(Z)-2,2,6,6-tetramethyl-5-(propylamino)hept-4-en-3-one
CID 87616879
(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one
CID 102485435
(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one
CID 122530495
5-(Ethylamino)-2,6-dimethylhept-4-en-3-one
CID 122530496
(Z)-4-[3-(diethylamino)propylamino]pent-3-en-2-one
CID 138570895
5-(Butan-2-ylamino)-2,2,6,6-tetramethylhept-4-en-3-one
CID 149919256
2,2-Dimethyl-5-(propylamino)hept-4-en-3-one
CID 149996382

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
The IUPAC name of (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one (CID 59155347) is (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one is CN(C)CCCN/C(=C\C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
The InChIKey is XHAVZNAJKCYDHU-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)13(12-14(19)16(4,5)6)17-10-9-11-18(7)8/h12,17H,9-11H2,1-8H3/b13-12-.
What are the key properties of (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one?
(Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one has a molecular weight of 268.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[3-(dimethylamino)propylamino]-2,2,6,6-tetramethylhept-4-en-3-one is sourced from PubChem (CID 59155347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).