N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide

C11H20N2O2 — CID 121223768

IUPACN-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide
SMILESCC#CCCC(C)(CC)N(CCO)N=O
InChIInChI=1S/C11H20N2O2/c1-4-6-7-8-11(3,5-2)13(12-15)9-10-14/h14H,5,7-10H2,1-3H3
InChIKeyLEHPFQFIGMZBJM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.93
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide

N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide (PubChem CID 121223768) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide
PubChem CID121223768
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide
SMILESCC#CCCC(C)(CC)N(CCO)N=O
InChIInChI=1S/C11H20N2O2/c1-4-6-7-8-11(3,5-2)13(12-15)9-10-14/h14H,5,7-10H2,1-3H3
InChIKeyLEHPFQFIGMZBJM-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-(3-methyloct-6-yn-3-yl)nitrous amide?
The IUPAC name of N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide (CID 121223768) is N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide is CC#CCCC(C)(CC)N(CCO)N=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide?
The InChIKey is LEHPFQFIGMZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-7-8-11(3,5-2)13(12-15)9-10-14/h14H,5,7-10H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide?
N-(2-hydroxyethyl)-N-(3-methyloct-6-yn-3-yl)nitrous amide has a molecular weight of 212.29 g/mol, XLogP of 1.93, 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-(3-methyloct-6-yn-3-yl)nitrous amide is sourced from PubChem (CID 121223768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).