N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine

C8H18N2O2 — CID 14009886

IUPACN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine
SMILESCC1(C)OCC(CNCCN)O1
InChIInChI=1S/C8H18N2O2/c1-8(2)11-6-7(12-8)5-10-4-3-9/h7,10H,3-6,9H2,1-2H3
InChIKeyBNJIFIMQEKZPKW-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.31
Rot. Bonds4

About N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine

N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine (PubChem CID 14009886) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine
PubChem CID14009886
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine
SMILESCC1(C)OCC(CNCCN)O1
InChIInChI=1S/C8H18N2O2/c1-8(2)11-6-7(12-8)5-10-4-3-9/h7,10H,3-6,9H2,1-2H3
InChIKeyBNJIFIMQEKZPKW-UHFFFAOYSA-N
XLogP-0.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine (CID 14009886) is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine is CC1(C)OCC(CNCCN)O1.
What is the InChIKey of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is BNJIFIMQEKZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2)11-6-7(12-8)5-10-4-3-9/h7,10H,3-6,9H2,1-2H3.
What are the key properties of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine?
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 174.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 14009886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).