N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine

C17H27NO2 — CID 6518396

IUPACN-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine
SMILESCC(C)=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C
InChIInChI=1S/C17H27NO2/c1-13(2)17(15(5)11-20-18-14(3)4)19-12-16-9-7-6-8-10-16/h6-10,13,15,17H,11-12H2,1-5H3/t15-,17-/m1/s1
InChIKeyNBTXGNAABMFTFR-NVXWUHKLSA-N
MW277.41 g/mol
LogP4.28
Rot. Bonds8

About N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine

N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine (PubChem CID 6518396) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine.

Molecular Properties

Compound NameN-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine
PubChem CID6518396
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine
SMILESCC(C)=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C
InChIInChI=1S/C17H27NO2/c1-13(2)17(15(5)11-20-18-14(3)4)19-12-16-9-7-6-8-10-16/h6-10,13,15,17H,11-12H2,1-5H3/t15-,17-/m1/s1
InChIKeyNBTXGNAABMFTFR-NVXWUHKLSA-N
XLogP4.28
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine?
The IUPAC name of N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine (CID 6518396) is N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine.
What is the SMILES notation for N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine?
The canonical SMILES for N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine is CC(C)=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C.
What is the InChIKey of N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine?
The InChIKey is NBTXGNAABMFTFR-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)17(15(5)11-20-18-14(3)4)19-12-16-9-7-6-8-10-16/h6-10,13,15,17H,11-12H2,1-5H3/t15-,17-/m1/s1.
What are the key properties of N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine?
N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine has a molecular weight of 277.41 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]propan-2-imine is sourced from PubChem (CID 6518396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).