(2-ethoxy-2-methylpropyl)cyanamide

C7H14N2O — CID 114942123

IUPAC(2-ethoxy-2-methylpropyl)cyanamide
SMILESCCOC(C)(C)CNC#N
InChIInChI=1S/C7H14N2O/c1-4-10-7(2,3)5-9-6-8/h9H,4-5H2,1-3H3
InChIKeyZKWGCKPSSLEAFS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.87
Rot. Bonds4

About (2-ethoxy-2-methylpropyl)cyanamide

(2-ethoxy-2-methylpropyl)cyanamide (PubChem CID 114942123) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (2-ethoxy-2-methylpropyl)cyanamide.

Molecular Properties

Compound Name(2-ethoxy-2-methylpropyl)cyanamide
PubChem CID114942123
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(2-ethoxy-2-methylpropyl)cyanamide
SMILESCCOC(C)(C)CNC#N
InChIInChI=1S/C7H14N2O/c1-4-10-7(2,3)5-9-6-8/h9H,4-5H2,1-3H3
InChIKeyZKWGCKPSSLEAFS-UHFFFAOYSA-N
XLogP0.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxy-3-methylazetidine
CID 83066072
(2-Methoxy-2-methylpropyl)(methyl)amine
CID 58989744
2-ethoxy-N,2-dimethylpropan-1-amine
CID 12700128
N,2-dimethyl-2-(2-methylpropoxy)propan-1-amine
CID 62354397
Methyl[2-methyl-2-(propan-2-yloxy)propyl]amine
CID 62354808
N,2-dimethyl-2-propoxypropan-1-amine
CID 62355228
2-butoxy-N,2-dimethylpropan-1-amine
CID 62355631
3-Methyl-3-propoxyazetidine
CID 83066073
1-(1-ethoxycyclopropyl)-N-methylmethanamine
CID 131051502
(2-Ethoxy-2-methylpropyl)-methanidylazanium
CID 155624717
Methanidyl-(2-methoxy-2-methylpropyl)azanium
CID 155624932
ethane;2-ethoxy-N,2-dimethylpropan-1-amine
CID 166550190

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-methylpropyl)cyanamide?
The IUPAC name of (2-ethoxy-2-methylpropyl)cyanamide (CID 114942123) is (2-ethoxy-2-methylpropyl)cyanamide.
What is the SMILES notation for (2-ethoxy-2-methylpropyl)cyanamide?
The canonical SMILES for (2-ethoxy-2-methylpropyl)cyanamide is CCOC(C)(C)CNC#N.
What is the InChIKey of (2-ethoxy-2-methylpropyl)cyanamide?
The InChIKey is ZKWGCKPSSLEAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-10-7(2,3)5-9-6-8/h9H,4-5H2,1-3H3.
What are the key properties of (2-ethoxy-2-methylpropyl)cyanamide?
(2-ethoxy-2-methylpropyl)cyanamide has a molecular weight of 142.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-methylpropyl)cyanamide is sourced from PubChem (CID 114942123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).