N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine

C8H16N2O — CID 62064583

IUPACN'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CCC=CO1
InChIInChI=1S/C8H16N2O/c9-4-5-10-7-8-3-1-2-6-11-8/h2,6,8,10H,1,3-5,7,9H2
InChIKeyQPODRIUNWAAYJO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.23
Rot. Bonds4

About N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine

N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62064583) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine
PubChem CID62064583
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CCC=CO1
InChIInChI=1S/C8H16N2O/c9-4-5-10-7-8-3-1-2-6-11-8/h2,6,8,10H,1,3-5,7,9H2
InChIKeyQPODRIUNWAAYJO-UHFFFAOYSA-N
XLogP0.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine (CID 62064583) is N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine is NCCNCC1CCC=CO1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is QPODRIUNWAAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-4-5-10-7-8-3-1-2-6-11-8/h2,6,8,10H,1,3-5,7,9H2.
What are the key properties of N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine?
N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyran-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62064583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).