N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane

C10H21N3O2 — CID 143974290

IUPACN'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane
SMILESCN=O.NCCCNCC1C=CCCO1
InChIInChI=1S/C9H18N2O.CH3NO/c10-5-3-6-11-8-9-4-1-2-7-12-9;1-2-3/h1,4,9,11H,2-3,5-8,10H2;1H3
InChIKeyUVAYTJDTBVZOOO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.65
Rot. Bonds5

About N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane

N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane (PubChem CID 143974290) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane.

Molecular Properties

Compound NameN'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane
PubChem CID143974290
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane
SMILESCN=O.NCCCNCC1C=CCCO1
InChIInChI=1S/C9H18N2O.CH3NO/c10-5-3-6-11-8-9-4-1-2-7-12-9;1-2-3/h1,4,9,11H,2-3,5-8,10H2;1H3
InChIKeyUVAYTJDTBVZOOO-UHFFFAOYSA-N
XLogP0.65
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane?
The IUPAC name of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane (CID 143974290) is N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane.
What is the SMILES notation for N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane?
The canonical SMILES for N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane is CN=O.NCCCNCC1C=CCCO1.
What is the InChIKey of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane?
The InChIKey is UVAYTJDTBVZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.CH3NO/c10-5-3-6-11-8-9-4-1-2-7-12-9;1-2-3/h1,4,9,11H,2-3,5-8,10H2;1H3.
What are the key properties of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane?
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane has a molecular weight of 215.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane is sourced from PubChem (CID 143974290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).