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

C14H28N2O — CID 62066335

IUPAC1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCC1CCC=CO1)N(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)9-13(16(3)4)10-15-11-14-7-5-6-8-17-14/h6,8,12-15H,5,7,9-11H2,1-4H3
InChIKeyJYTHBEBEHASDHX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.24
Rot. Bonds7

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

1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 62066335) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID62066335
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNCC1CCC=CO1)N(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)9-13(16(3)4)10-15-11-14-7-5-6-8-17-14/h6,8,12-15H,5,7,9-11H2,1-4H3
InChIKeyJYTHBEBEHASDHX-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 62066335) is 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNCC1CCC=CO1)N(C)C.
What is the InChIKey of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is JYTHBEBEHASDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)9-13(16(3)4)10-15-11-14-7-5-6-8-17-14/h6,8,12-15H,5,7,9-11H2,1-4H3.
What are the key properties of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62066335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).