(Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide

C21H37N5O2 — CID 58640726

IUPAC(Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide
SMILESC=CC(CC/C=C\CC(=O)NCC(C)CN)CC(C#N)C(=O)NCC(C)CN
InChIInChI=1S/C21H37N5O2/c1-4-18(10-19(13-24)21(28)26-15-17(3)12-23)8-6-5-7-9-20(27)25-14-16(2)11-22/h4-5,7,16-19H,1,6,8-12,14-15,22-23H2,2-3H3,(H,25,27)(H,26,28)/b7-5-
InChIKeyVHZULTVZBQPPTI-ALCCZGGFSA-N
MW391.56 g/mol
LogP1.47
Rot. Bonds15

About (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide

(Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide (PubChem CID 58640726) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide.

Molecular Properties

Compound Name(Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide
PubChem CID58640726
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Name(Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide
SMILESC=CC(CC/C=C\CC(=O)NCC(C)CN)CC(C#N)C(=O)NCC(C)CN
InChIInChI=1S/C21H37N5O2/c1-4-18(10-19(13-24)21(28)26-15-17(3)12-23)8-6-5-7-9-20(27)25-14-16(2)11-22/h4-5,7,16-19H,1,6,8-12,14-15,22-23H2,2-3H3,(H,25,27)(H,26,28)/b7-5-
InChIKeyVHZULTVZBQPPTI-ALCCZGGFSA-N
XLogP1.47
TPSA134.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide?
The IUPAC name of (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide (CID 58640726) is (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide.
What is the SMILES notation for (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide?
The canonical SMILES for (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide is C=CC(CC/C=C\CC(=O)NCC(C)CN)CC(C#N)C(=O)NCC(C)CN.
What is the InChIKey of (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide?
The InChIKey is VHZULTVZBQPPTI-ALCCZGGFSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-4-18(10-19(13-24)21(28)26-15-17(3)12-23)8-6-5-7-9-20(27)25-14-16(2)11-22/h4-5,7,16-19H,1,6,8-12,14-15,22-23H2,2-3H3,(H,25,27)(H,26,28)/b7-5-.
What are the key properties of (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide?
(Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide has a molecular weight of 391.56 g/mol, XLogP of 1.47, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-bis(3-amino-2-methylpropyl)-9-cyano-7-ethenyldec-3-enediamide is sourced from PubChem (CID 58640726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).