N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine

C14H30N2O — CID 23612492

IUPACN-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC1CCOC(C)(C)C1
InChIInChI=1S/C14H30N2O/c1-5-16(6-2)9-8-15-12-13-7-10-17-14(3,4)11-13/h13,15H,5-12H2,1-4H3
InChIKeyZWDUJENMFBYCGT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine

N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 23612492) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID23612492
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC1CCOC(C)(C)C1
InChIInChI=1S/C14H30N2O/c1-5-16(6-2)9-8-15-12-13-7-10-17-14(3,4)11-13/h13,15H,5-12H2,1-4H3
InChIKeyZWDUJENMFBYCGT-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
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-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine (CID 23612492) is N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCC1CCOC(C)(C)C1.
What is the InChIKey of N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is ZWDUJENMFBYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(6-2)9-8-15-12-13-7-10-17-14(3,4)11-13/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 23612492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).