N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

C12H26N2O — CID 103069854

IUPACN-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)C(C)COC
InChIInChI=1S/C12H26N2O/c1-10(2)13-7-11(3)8-14(5)12(4)9-15-6/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyVIVXOTKIVBBWAZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.51
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine

N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103069854) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103069854
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)C(C)COC
InChIInChI=1S/C12H26N2O/c1-10(2)13-7-11(3)8-14(5)12(4)9-15-6/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyVIVXOTKIVBBWAZ-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103071342
potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide
CID 106745789
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650
2-[1-methoxypropan-2-yl(methyl)amino]acetohydrazide
CID 63585055
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069497
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
CID 103070964
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine (CID 103069854) is N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(C)C(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is VIVXOTKIVBBWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-7-11(3)8-14(5)12(4)9-15-6/h10,12-13H,3,7-9H2,1-2,4-6H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine?
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103069854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).