N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine

C8H20N2O2 — CID 144530109

IUPACN'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine
SMILESCOC(C)(C)CCOCNCN
InChIInChI=1S/C8H20N2O2/c1-8(2,11-3)4-5-12-7-10-6-9/h10H,4-7,9H2,1-3H3
InChIKeyOKSWAAWKXHOABV-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.28
Rot. Bonds7

About N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine

N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine (PubChem CID 144530109) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine.

Molecular Properties

Compound NameN'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine
PubChem CID144530109
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC NameN'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine
SMILESCOC(C)(C)CCOCNCN
InChIInChI=1S/C8H20N2O2/c1-8(2,11-3)4-5-12-7-10-6-9/h10H,4-7,9H2,1-3H3
InChIKeyOKSWAAWKXHOABV-UHFFFAOYSA-N
XLogP0.28
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735
methyl 4-(3-methoxy-3-methylbutoxy)-2-(methylamino)butanoate
CID 106666689
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668506
(3S)-4-(3-methoxy-3-methylbutoxy)-3-methylbutanal
CID 59869395

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine?
The IUPAC name of N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine (CID 144530109) is N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine.
What is the SMILES notation for N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine?
The canonical SMILES for N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine is COC(C)(C)CCOCNCN.
What is the InChIKey of N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine?
The InChIKey is OKSWAAWKXHOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-8(2,11-3)4-5-12-7-10-6-9/h10H,4-7,9H2,1-3H3.
What are the key properties of N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine?
N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine has a molecular weight of 176.26 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxy-3-methylbutoxy)methyl]methanediamine is sourced from PubChem (CID 144530109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).