(Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide

C14H28N4O — CID 144649726

IUPAC(Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide
SMILESCCN1CCC(N(C)C(=O)CCC/C(N)=C/N)CC1
InChIInChI=1S/C14H28N4O/c1-3-18-9-7-13(8-10-18)17(2)14(19)6-4-5-12(16)11-15/h11,13H,3-10,15-16H2,1-2H3/b12-11-
InChIKeyOOHBNCWCOIBTRT-QXMHVHEDSA-N
MW268.40 g/mol
LogP0.86
Rot. Bonds6

About (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide

(Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide (PubChem CID 144649726) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide.

Molecular Properties

Compound Name(Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide
PubChem CID144649726
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name(Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide
SMILESCCN1CCC(N(C)C(=O)CCC/C(N)=C/N)CC1
InChIInChI=1S/C14H28N4O/c1-3-18-9-7-13(8-10-18)17(2)14(19)6-4-5-12(16)11-15/h11,13H,3-10,15-16H2,1-2H3/b12-11-
InChIKeyOOHBNCWCOIBTRT-QXMHVHEDSA-N
XLogP0.86
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide?
The IUPAC name of (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide (CID 144649726) is (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide.
What is the SMILES notation for (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide?
The canonical SMILES for (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide is CCN1CCC(N(C)C(=O)CCC/C(N)=C/N)CC1.
What is the InChIKey of (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide?
The InChIKey is OOHBNCWCOIBTRT-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-18-9-7-13(8-10-18)17(2)14(19)6-4-5-12(16)11-15/h11,13H,3-10,15-16H2,1-2H3/b12-11-.
What are the key properties of (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide?
(Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide has a molecular weight of 268.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6-diamino-N-(1-ethylpiperidin-4-yl)-N-methylhex-5-enamide is sourced from PubChem (CID 144649726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).