7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide

C13H27N5O — CID 163528050

IUPAC7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide
SMILESCN1CCC(NC(=O)CCCCC(=CN)NN)CC1
InChIInChI=1S/C13H27N5O/c1-18-8-6-11(7-9-18)16-13(19)5-3-2-4-12(10-14)17-15/h10-11,17H,2-9,14-15H2,1H3,(H,16,19)
InChIKeyDQNANTUKNRDQQD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.02
Rot. Bonds7

About 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide

7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide (PubChem CID 163528050) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide.

Molecular Properties

Compound Name7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide
PubChem CID163528050
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide
SMILESCN1CCC(NC(=O)CCCCC(=CN)NN)CC1
InChIInChI=1S/C13H27N5O/c1-18-8-6-11(7-9-18)16-13(19)5-3-2-4-12(10-14)17-15/h10-11,17H,2-9,14-15H2,1H3,(H,16,19)
InChIKeyDQNANTUKNRDQQD-UHFFFAOYSA-N
XLogP0.02
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide?
The IUPAC name of 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide (CID 163528050) is 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide.
What is the SMILES notation for 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide?
The canonical SMILES for 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide is CN1CCC(NC(=O)CCCCC(=CN)NN)CC1.
What is the InChIKey of 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide?
The InChIKey is DQNANTUKNRDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-18-8-6-11(7-9-18)16-13(19)5-3-2-4-12(10-14)17-15/h10-11,17H,2-9,14-15H2,1H3,(H,16,19).
What are the key properties of 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide?
7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide has a molecular weight of 269.39 g/mol, XLogP of 0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-hydrazinyl-N-(1-methylpiperidin-4-yl)hept-6-enamide is sourced from PubChem (CID 163528050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).