(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide

C16H32N4O — CID 144649713

IUPAC(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide
SMILESCCC1CC(NC(=O)CCC/C(N)=C/N)CC(CC)N1C
InChIInChI=1S/C16H32N4O/c1-4-14-9-13(10-15(5-2)20(14)3)19-16(21)8-6-7-12(18)11-17/h11,13-15H,4-10,17-18H2,1-3H3,(H,19,21)/b12-11-
InChIKeyQQGFKIIRWQTKFW-QXMHVHEDSA-N
MW296.46 g/mol
LogP1.68
Rot. Bonds7

About (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide

(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide (PubChem CID 144649713) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide.

Molecular Properties

Compound Name(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide
PubChem CID144649713
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide
SMILESCCC1CC(NC(=O)CCC/C(N)=C/N)CC(CC)N1C
InChIInChI=1S/C16H32N4O/c1-4-14-9-13(10-15(5-2)20(14)3)19-16(21)8-6-7-12(18)11-17/h11,13-15H,4-10,17-18H2,1-3H3,(H,19,21)/b12-11-
InChIKeyQQGFKIIRWQTKFW-QXMHVHEDSA-N
XLogP1.68
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide?
The IUPAC name of (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide (CID 144649713) is (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide.
What is the SMILES notation for (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide?
The canonical SMILES for (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide is CCC1CC(NC(=O)CCC/C(N)=C/N)CC(CC)N1C.
What is the InChIKey of (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide?
The InChIKey is QQGFKIIRWQTKFW-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-14-9-13(10-15(5-2)20(14)3)19-16(21)8-6-7-12(18)11-17/h11,13-15H,4-10,17-18H2,1-3H3,(H,19,21)/b12-11-.
What are the key properties of (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide?
(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide has a molecular weight of 296.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide is sourced from PubChem (CID 144649713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).