bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene

C18H34N6 — CID 23467435

IUPACbis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene
SMILESCC(C)C(/N=N/C(C1=NCCCCN1)C(C)C)C1=NCCCCN1
InChIInChI=1S/C18H34N6/c1-13(2)15(17-19-9-5-6-10-20-17)23-24-16(14(3)4)18-21-11-7-8-12-22-18/h13-16H,5-12H2,1-4H3,(H,19,20)(H,21,22)/b24-23+
InChIKeyUSAHRGUSDXRZSL-WCWDXBQESA-N
MW334.51 g/mol
LogP3.05
Rot. Bonds6

About bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene

bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene (PubChem CID 23467435) has the molecular formula C18H34N6 and a molecular weight of 334.51 g/mol. Its IUPAC name is bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene.

Molecular Properties

Compound Namebis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene
PubChem CID23467435
Molecular FormulaC18H34N6
Molecular Weight334.51 g/mol
Exact Mass334.28
IUPAC Namebis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene
SMILESCC(C)C(/N=N/C(C1=NCCCCN1)C(C)C)C1=NCCCCN1
InChIInChI=1S/C18H34N6/c1-13(2)15(17-19-9-5-6-10-20-17)23-24-16(14(3)4)18-21-11-7-8-12-22-18/h13-16H,5-12H2,1-4H3,(H,19,20)(H,21,22)/b24-23+
InChIKeyUSAHRGUSDXRZSL-WCWDXBQESA-N
XLogP3.05
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene?
The IUPAC name of bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene (CID 23467435) is bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene.
What is the SMILES notation for bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene?
The canonical SMILES for bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene is CC(C)C(/N=N/C(C1=NCCCCN1)C(C)C)C1=NCCCCN1.
What is the InChIKey of bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene?
The InChIKey is USAHRGUSDXRZSL-WCWDXBQESA-N. The full InChI is InChI=1S/C18H34N6/c1-13(2)15(17-19-9-5-6-10-20-17)23-24-16(14(3)4)18-21-11-7-8-12-22-18/h13-16H,5-12H2,1-4H3,(H,19,20)(H,21,22)/b24-23+.
What are the key properties of bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene?
bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene has a molecular weight of 334.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene is sourced from PubChem (CID 23467435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).