[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide

C9H15N3 — CID 90322153

IUPAC[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide
SMILESCC(C)(C)/C(=N/C#N)N1CCC1
InChIInChI=1S/C9H15N3/c1-9(2,3)8(11-7-10)12-5-4-6-12/h4-6H2,1-3H3/b11-8-
InChIKeyLNPGBJXNRXHKPA-FLIBITNWSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds

About [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide

[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide (PubChem CID 90322153) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide.

Molecular Properties

Compound Name[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide
PubChem CID90322153
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide
SMILESCC(C)(C)/C(=N/C#N)N1CCC1
InChIInChI=1S/C9H15N3/c1-9(2,3)8(11-7-10)12-5-4-6-12/h4-6H2,1-3H3/b11-8-
InChIKeyLNPGBJXNRXHKPA-FLIBITNWSA-N
XLogP1.62
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide?
The IUPAC name of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide (CID 90322153) is [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide.
What is the SMILES notation for [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide?
The canonical SMILES for [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide is CC(C)(C)/C(=N/C#N)N1CCC1.
What is the InChIKey of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide?
The InChIKey is LNPGBJXNRXHKPA-FLIBITNWSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2,3)8(11-7-10)12-5-4-6-12/h4-6H2,1-3H3/b11-8-.
What are the key properties of [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide?
[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide has a molecular weight of 165.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide is sourced from PubChem (CID 90322153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).