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

C12H24N2O — CID 62065469

IUPAC3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCC1CCC=CO1
InChIInChI=1S/C12H24N2O/c1-11(7-8-14(2)3)13-10-12-6-4-5-9-15-12/h5,9,11-13H,4,6-8,10H2,1-3H3
InChIKeyGHWLILQMMOOWET-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.61
Rot. Bonds6

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

3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 62065469) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID62065469
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCC1CCC=CO1
InChIInChI=1S/C12H24N2O/c1-11(7-8-14(2)3)13-10-12-6-4-5-9-15-12/h5,9,11-13H,4,6-8,10H2,1-3H3
InChIKeyGHWLILQMMOOWET-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 62065469) is 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NCC1CCC=CO1.
What is the InChIKey of 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is GHWLILQMMOOWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(7-8-14(2)3)13-10-12-6-4-5-9-15-12/h5,9,11-13H,4,6-8,10H2,1-3H3.
What are the key properties of 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 62065469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).