(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide

C13H27N5O — CID 144649703

IUPAC(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide
SMILESCN1CCCC(NC(=O)CCC/C(N)=C/NN)CC1
InChIInChI=1S/C13H27N5O/c1-18-8-3-5-12(7-9-18)17-13(19)6-2-4-11(14)10-16-15/h10,12,16H,2-9,14-15H2,1H3,(H,17,19)/b11-10-
InChIKeyHRIGYXSNHBJHRO-KHPPLWFESA-N
MW269.39 g/mol
LogP0.02
Rot. Bonds6

About (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide

(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide (PubChem CID 144649703) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide.

Molecular Properties

Compound Name(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide
PubChem CID144649703
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide
SMILESCN1CCCC(NC(=O)CCC/C(N)=C/NN)CC1
InChIInChI=1S/C13H27N5O/c1-18-8-3-5-12(7-9-18)17-13(19)6-2-4-11(14)10-16-15/h10,12,16H,2-9,14-15H2,1H3,(H,17,19)/b11-10-
InChIKeyHRIGYXSNHBJHRO-KHPPLWFESA-N
XLogP0.02
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
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': '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 (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide?
The IUPAC name of (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide (CID 144649703) is (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide.
What is the SMILES notation for (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide?
The canonical SMILES for (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide is CN1CCCC(NC(=O)CCC/C(N)=C/NN)CC1.
What is the InChIKey of (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide?
The InChIKey is HRIGYXSNHBJHRO-KHPPLWFESA-N. The full InChI is InChI=1S/C13H27N5O/c1-18-8-3-5-12(7-9-18)17-13(19)6-2-4-11(14)10-16-15/h10,12,16H,2-9,14-15H2,1H3,(H,17,19)/b11-10-.
What are the key properties of (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide?
(Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide has a molecular weight of 269.39 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-6-hydrazinyl-N-(1-methylazepan-4-yl)hex-5-enamide is sourced from PubChem (CID 144649703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).