(2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide

C10H17N3O — CID 58961004

IUPAC(2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide
SMILESCC(C)(C)/C(=N/C#N)N1CCOCC1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9(12-8-11)13-4-6-14-7-5-13/h4-7H2,1-3H3/b12-9-
InChIKeyGYRFDMKZXWBGFT-XFXZXTDPSA-N
MW195.27 g/mol
LogP1.24
Rot. Bonds

About (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide

(2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide (PubChem CID 58961004) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide.

Molecular Properties

Compound Name(2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide
PubChem CID58961004
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide
SMILESCC(C)(C)/C(=N/C#N)N1CCOCC1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9(12-8-11)13-4-6-14-7-5-13/h4-7H2,1-3H3/b12-9-
InChIKeyGYRFDMKZXWBGFT-XFXZXTDPSA-N
XLogP1.24
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide?
The IUPAC name of (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide (CID 58961004) is (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide.
What is the SMILES notation for (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide?
The canonical SMILES for (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide is CC(C)(C)/C(=N/C#N)N1CCOCC1.
What is the InChIKey of (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide?
The InChIKey is GYRFDMKZXWBGFT-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)9(12-8-11)13-4-6-14-7-5-13/h4-7H2,1-3H3/b12-9-.
What are the key properties of (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide?
(2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide has a molecular weight of 195.27 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-morpholin-4-ylpropylidene)cyanamide is sourced from PubChem (CID 58961004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).