(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine

C9H16N4 — CID 2835693

IUPAC(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine
SMILESCC12CN3CC(CN(C3)C1)C2=NN
InChIInChI=1S/C9H16N4/c1-9-4-12-2-7(8(9)11-10)3-13(5-9)6-12/h7H,2-6,10H2,1H3
InChIKeyCBEYKRHVECVFFR-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.47
Rot. Bonds

About (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine

(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine (PubChem CID 2835693) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine.

Molecular Properties

Compound Name(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine
PubChem CID2835693
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine
SMILESCC12CN3CC(CN(C3)C1)C2=NN
InChIInChI=1S/C9H16N4/c1-9-4-12-2-7(8(9)11-10)3-13(5-9)6-12/h7H,2-6,10H2,1H3
InChIKeyCBEYKRHVECVFFR-UHFFFAOYSA-N
XLogP-0.47
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine?
The IUPAC name of (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine (CID 2835693) is (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine.
What is the SMILES notation for (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine?
The canonical SMILES for (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine is CC12CN3CC(CN(C3)C1)C2=NN.
What is the InChIKey of (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine?
The InChIKey is CBEYKRHVECVFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9-4-12-2-7(8(9)11-10)3-13(5-9)6-12/h7H,2-6,10H2,1H3.
What are the key properties of (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine?
(5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine has a molecular weight of 180.25 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine is sourced from PubChem (CID 2835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).