N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide

C11H20N2O2 — CID 121222011

IUPACN-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide
SMILESCC#CCC(CN(CCO)N=O)C(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-6-11(10(2)3)9-13(12-15)7-8-14/h10-11,14H,6-9H2,1-3H3
InChIKeyQVEZDKOQQIQSJZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.65
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide

N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide (PubChem CID 121222011) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide
PubChem CID121222011
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide
SMILESCC#CCC(CN(CCO)N=O)C(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-6-11(10(2)3)9-13(12-15)7-8-14/h10-11,14H,6-9H2,1-3H3
InChIKeyQVEZDKOQQIQSJZ-UHFFFAOYSA-N
XLogP1.65
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide (CID 121222011) is N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide is CC#CCC(CN(CCO)N=O)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide?
The InChIKey is QVEZDKOQQIQSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-6-11(10(2)3)9-13(12-15)7-8-14/h10-11,14H,6-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide?
N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide has a molecular weight of 212.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-propan-2-ylhex-4-ynyl)nitrous amide is sourced from PubChem (CID 121222011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).