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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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).