(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide

C13H26N4O — CID 144649697

IUPAC(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide
SMILESCN1CCC(CNC(=O)CCC/C(N)=C/N)CC1
InChIInChI=1S/C13H26N4O/c1-17-7-5-11(6-8-17)10-16-13(18)4-2-3-12(15)9-14/h9,11H,2-8,10,14-15H2,1H3,(H,16,18)/b12-9-
InChIKeyHRLCPOWUTNFCHL-XFXZXTDPSA-N
MW254.38 g/mol
LogP0.37
Rot. Bonds6

About (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide

(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide (PubChem CID 144649697) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide.

Molecular Properties

Compound Name(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide
PubChem CID144649697
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide
SMILESCN1CCC(CNC(=O)CCC/C(N)=C/N)CC1
InChIInChI=1S/C13H26N4O/c1-17-7-5-11(6-8-17)10-16-13(18)4-2-3-12(15)9-14/h9,11H,2-8,10,14-15H2,1H3,(H,16,18)/b12-9-
InChIKeyHRLCPOWUTNFCHL-XFXZXTDPSA-N
XLogP0.37
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.37
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-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide?
The IUPAC name of (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide (CID 144649697) is (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide.
What is the SMILES notation for (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide?
The canonical SMILES for (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide is CN1CCC(CNC(=O)CCC/C(N)=C/N)CC1.
What is the InChIKey of (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide?
The InChIKey is HRLCPOWUTNFCHL-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H26N4O/c1-17-7-5-11(6-8-17)10-16-13(18)4-2-3-12(15)9-14/h9,11H,2-8,10,14-15H2,1H3,(H,16,18)/b12-9-.
What are the key properties of (Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide?
(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide has a molecular weight of 254.38 g/mol, XLogP of 0.37, 6 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-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide is sourced from PubChem (CID 144649697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).