(2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine

C14H27N3 — CID 88952191

IUPAC(2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine
SMILESC/N=C1\CCCCCCCCCCC\C1=N\N
InChIInChI=1S/C14H27N3/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14(13)17-15/h2-12,15H2,1H3/b16-13+,17-14-
InChIKeyWRQSBRPUNWXEBU-RUFHZZRQSA-N
MW237.39 g/mol
LogP3.68
Rot. Bonds

About (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine

(2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine (PubChem CID 88952191) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine
PubChem CID88952191
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine
SMILESC/N=C1\CCCCCCCCCCC\C1=N\N
InChIInChI=1S/C14H27N3/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14(13)17-15/h2-12,15H2,1H3/b16-13+,17-14-
InChIKeyWRQSBRPUNWXEBU-RUFHZZRQSA-N
XLogP3.68
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine?
The IUPAC name of (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine (CID 88952191) is (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine.
What is the SMILES notation for (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine?
The canonical SMILES for (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine is C/N=C1\CCCCCCCCCCC\C1=N\N.
What is the InChIKey of (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine?
The InChIKey is WRQSBRPUNWXEBU-RUFHZZRQSA-N. The full InChI is InChI=1S/C14H27N3/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14(13)17-15/h2-12,15H2,1H3/b16-13+,17-14-.
What are the key properties of (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine?
(2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine has a molecular weight of 237.39 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-N-methylcyclotridecan-1-imine is sourced from PubChem (CID 88952191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).