[2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium

C13H28N5O+ — CID 163528049

IUPAC[2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium
SMILESCN1CCC(NC(=O)CCCCC(=C[NH3+])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)/p+1
InChIKeyDQNANTUKNRDQQD-UHFFFAOYSA-O
MW270.40 g/mol
LogP-0.70
Rot. Bonds7

About [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium

[2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium (PubChem CID 163528049) has the molecular formula C13H28N5O+ and a molecular weight of 270.40 g/mol. Its IUPAC name is [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium.

Molecular Properties

Compound Name[2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium
PubChem CID163528049
Molecular FormulaC13H28N5O+
Molecular Weight270.40 g/mol
Exact Mass270.23
IUPAC Name[2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium
SMILESCN1CCC(NC(=O)CCCCC(=C[NH3+])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)/p+1
InChIKeyDQNANTUKNRDQQD-UHFFFAOYSA-O
XLogP-0.70
TPSA98.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium?
The IUPAC name of [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium (CID 163528049) is [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium.
What is the SMILES notation for [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium?
The canonical SMILES for [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium is CN1CCC(NC(=O)CCCCC(=C[NH3+])NN)CC1.
What is the InChIKey of [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium?
The InChIKey is DQNANTUKNRDQQD-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium?
[2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium has a molecular weight of 270.40 g/mol, XLogP of -0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydrazinyl-7-[(1-methylpiperidin-4-yl)amino]-7-oxohept-1-enyl]azanium is sourced from PubChem (CID 163528049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).