N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine

C9H19NO — CID 10888172

IUPACN-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine
SMILESCOC[C@H](C)/N=C/C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(6-11-5)10-7-9(2,3)4/h7-8H,6H2,1-5H3/b10-7+/t8-/m0/s1
InChIKeyPHICAQZHCLLARQ-VKHJRQFRSA-N
MW157.26 g/mol
LogP2.14
Rot. Bonds3

About N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine

N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine (PubChem CID 10888172) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine
PubChem CID10888172
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine
SMILESCOC[C@H](C)/N=C/C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(6-11-5)10-7-9(2,3)4/h7-8H,6H2,1-5H3/b10-7+/t8-/m0/s1
InChIKeyPHICAQZHCLLARQ-VKHJRQFRSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopenta-1,2,4-trien-1-yl-N-[(2S)-1-methoxypropan-2-yl]methanimine
CID 177384615
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
1,3,3-trimethoxy-2-methylbutane
CID 140983867
4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine
CID 101271028
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
(E)-4,4,4-trifluoro-3-(1-methoxypropan-2-ylimino)but-1-ene-1,2-diamine
CID 169213418
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
(2R)-2-chloro-1-methoxypropane
CID 94475219
3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one
CID 7059832
2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103227121
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine (CID 10888172) is N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine is COC[C@H](C)/N=C/C(C)(C)C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine?
The InChIKey is PHICAQZHCLLARQ-VKHJRQFRSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(6-11-5)10-7-9(2,3)4/h7-8H,6H2,1-5H3/b10-7+/t8-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine?
N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine has a molecular weight of 157.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 10888172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).