N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine

C11H28N2O — CID 165393971

IUPACN-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine
SMILESCC(C)N.CC(C)NCOC(C)(C)C
InChIInChI=1S/C8H19NO.C3H9N/c1-7(2)9-6-10-8(3,4)5;1-3(2)4/h7,9H,6H2,1-5H3;3H,4H2,1-2H3
InChIKeyAXZXGXLVMIWLCG-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.11
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine

N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine (PubChem CID 165393971) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine
PubChem CID165393971
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC NameN-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine
SMILESCC(C)N.CC(C)NCOC(C)(C)C
InChIInChI=1S/C8H19NO.C3H9N/c1-7(2)9-6-10-8(3,4)5;1-3(2)4/h7,9H,6H2,1-5H3;3H,4H2,1-2H3
InChIKeyAXZXGXLVMIWLCG-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylperoxymethyl)propan-2-amine
CID 20765328
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 28998269
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
N'-[(2-methylpropan-2-yl)oxymethyl]ethane-1,2-diamine
CID 123765079
2-methyl-N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 72592893
(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 55281826
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
3-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590457
(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427
N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62456588

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine (CID 165393971) is N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine is CC(C)N.CC(C)NCOC(C)(C)C.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine?
The InChIKey is AXZXGXLVMIWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C3H9N/c1-7(2)9-6-10-8(3,4)5;1-3(2)4/h7,9H,6H2,1-5H3;3H,4H2,1-2H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine?
N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine has a molecular weight of 204.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine;propan-2-amine is sourced from PubChem (CID 165393971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).