4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine

C17H27N — CID 100967564

IUPAC4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine
SMILESCCCCC(C)CC/C=N/[C@@H](C)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-5-10-15(2)11-9-14-18-16(3)17-12-7-6-8-13-17/h6-8,12-16H,4-5,9-11H2,1-3H3/b18-14+/t15?,16-/m0/s1
InChIKeyDZDGAQAETIRJOO-BPUVMDPJSA-N
MW245.41 g/mol
LogP5.42
Rot. Bonds8

About 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine

4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine (PubChem CID 100967564) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine
PubChem CID100967564
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine
SMILESCCCCC(C)CC/C=N/[C@@H](C)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-5-10-15(2)11-9-14-18-16(3)17-12-7-6-8-13-17/h6-8,12-16H,4-5,9-11H2,1-3H3/b18-14+/t15?,16-/m0/s1
InChIKeyDZDGAQAETIRJOO-BPUVMDPJSA-N
XLogP5.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
(E)-N-(1-phenylethyl)hex-2-en-1-imine
CID 11401417
ethane;3-(1-phenylethylimino)propanethial
CID 90970387
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
N-(5-phenylhexyl)hexan-1-imine
CID 91399547
5-methyl-3-phenylnonan-1-ol
CID 145204156
CID 173139841
CID 173139841
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
(2S,3R)-2-phenylheptan-3-amine
CID 11252501

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine?
The IUPAC name of 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine (CID 100967564) is 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine.
What is the SMILES notation for 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine?
The canonical SMILES for 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine is CCCCC(C)CC/C=N/[C@@H](C)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine?
The InChIKey is DZDGAQAETIRJOO-BPUVMDPJSA-N. The full InChI is InChI=1S/C17H27N/c1-4-5-10-15(2)11-9-14-18-16(3)17-12-7-6-8-13-17/h6-8,12-16H,4-5,9-11H2,1-3H3/b18-14+/t15?,16-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine?
4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine has a molecular weight of 245.41 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-phenylethyl]octan-1-imine is sourced from PubChem (CID 100967564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).