N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine

C9H20N2O — CID 116521389

IUPACN'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
SMILESCC1(C)CCC(CNCCN)O1
InChIInChI=1S/C9H20N2O/c1-9(2)4-3-8(12-9)7-11-6-5-10/h8,11H,3-7,10H2,1-2H3
InChIKeyOLCGLQWRYKAFPU-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.49
Rot. Bonds4

About N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine

N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine (PubChem CID 116521389) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
PubChem CID116521389
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
SMILESCC1(C)CCC(CNCCN)O1
InChIInChI=1S/C9H20N2O/c1-9(2)4-3-8(12-9)7-11-6-5-10/h8,11H,3-7,10H2,1-2H3
InChIKeyOLCGLQWRYKAFPU-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
N-[3-[(5,5-dimethyloxolan-2-yl)methylamino]propyl]methanesulfonamide
CID 114175166
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400999
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 116521666
1-cyclohex-3-en-1-yl-N-[(5,5-dimethyloxolan-2-yl)methyl]methanamine
CID 116521376
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368

Frequently Asked Questions

What is the IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine (CID 116521389) is N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine is CC1(C)CCC(CNCCN)O1.
What is the InChIKey of N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is OLCGLQWRYKAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)4-3-8(12-9)7-11-6-5-10/h8,11H,3-7,10H2,1-2H3.
What are the key properties of N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine?
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116521389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).