4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine

C14H27NO — CID 101271028

IUPAC4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine
SMILESCOC[C@H](C)N=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(10-16-5)15-13-8-6-12(7-9-13)14(2,3)4/h11-12H,6-10H2,1-5H3/b15-13-/t11-,12?/m0/s1
InChIKeyKXQYREXVYATXGR-JFYXQMGJSA-N
MW225.38 g/mol
LogP3.70
Rot. Bonds3

About 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine

4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine (PubChem CID 101271028) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine
PubChem CID101271028
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine
SMILESCOC[C@H](C)N=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-11(10-16-5)15-13-8-6-12(7-9-13)14(2,3)4/h11-12H,6-10H2,1-5H3/b15-13-/t11-,12?/m0/s1
InChIKeyKXQYREXVYATXGR-JFYXQMGJSA-N
XLogP3.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.70
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 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine?
The IUPAC name of 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine (CID 101271028) is 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine?
The canonical SMILES for 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine is COC[C@H](C)N=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine?
The InChIKey is KXQYREXVYATXGR-JFYXQMGJSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(10-16-5)15-13-8-6-12(7-9-13)14(2,3)4/h11-12H,6-10H2,1-5H3/b15-13-/t11-,12?/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine?
4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine has a molecular weight of 225.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-1-methoxypropan-2-yl]cyclohexan-1-imine is sourced from PubChem (CID 101271028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).