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

C12H26N2O — CID 23612491

IUPACN-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-12(2)9-11(5-8-15-12)10-13-6-7-14(3)4/h11,13H,5-10H2,1-4H3
InChIKeyDHCDJPNRPKXFHT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

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

N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 23612491) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID23612491
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-12(2)9-11(5-8-15-12)10-13-6-7-14(3)4/h11,13H,5-10H2,1-4H3
InChIKeyDHCDJPNRPKXFHT-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
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'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 23612491) is N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCC1CCOC(C)(C)C1.
What is the InChIKey of N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DHCDJPNRPKXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)9-11(5-8-15-12)10-13-6-7-14(3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2,2-dimethyloxan-4-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 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'-dimethylethane-1,2-diamine is sourced from PubChem (CID 23612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).