1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

C12H22N4 — CID 91982537

IUPAC1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESC1CCN=C(NNC2=NCCCCC2)CC1
InChIInChI=1S/C12H22N4/c1-3-7-11(13-9-5-1)15-16-12-8-4-2-6-10-14-12/h1-10H2,(H,13,15)(H,14,16)
InChIKeyPWFPAGJVIJEFPS-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.03
Rot. Bonds

About 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (PubChem CID 91982537) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
PubChem CID91982537
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESC1CCN=C(NNC2=NCCCCC2)CC1
InChIInChI=1S/C12H22N4/c1-3-7-11(13-9-5-1)15-16-12-8-4-2-6-10-14-12/h1-10H2,(H,13,15)(H,14,16)
InChIKeyPWFPAGJVIJEFPS-UHFFFAOYSA-N
XLogP2.03
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The IUPAC name of 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (CID 91982537) is 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.
What is the SMILES notation for 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The canonical SMILES for 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is C1CCN=C(NNC2=NCCCCC2)CC1.
What is the InChIKey of 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The InChIKey is PWFPAGJVIJEFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-7-11(13-9-5-1)15-16-12-8-4-2-6-10-14-12/h1-10H2,(H,13,15)(H,14,16).
What are the key properties of 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine has a molecular weight of 222.34 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is sourced from PubChem (CID 91982537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).