N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine

C19H31NO — CID 12696670

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine
SMILESCCCCC(CCCC)=N[C@H](COC)Cc1ccccc1
InChIInChI=1S/C19H31NO/c1-4-6-13-18(14-7-5-2)20-19(16-21-3)15-17-11-9-8-10-12-17/h8-12,19H,4-7,13-16H2,1-3H3/t19-/m0/s1
InChIKeyVXBZDEXPGMXRPM-IBGZPJMESA-N
MW289.46 g/mol
LogP5.07
Rot. Bonds11

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine (PubChem CID 12696670) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine
PubChem CID12696670
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine
SMILESCCCCC(CCCC)=N[C@H](COC)Cc1ccccc1
InChIInChI=1S/C19H31NO/c1-4-6-13-18(14-7-5-2)20-19(16-21-3)15-17-11-9-8-10-12-17/h8-12,19H,4-7,13-16H2,1-3H3/t19-/m0/s1
InChIKeyVXBZDEXPGMXRPM-IBGZPJMESA-N
XLogP5.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.07
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-Methoxy-3-phenylpropan-2-amine
CID 5106602
AG-H-02521
CID 5325154
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy-3,6-dihydro-pyrazine
CID 100984930

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine (CID 12696670) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine is CCCCC(CCCC)=N[C@H](COC)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine?
The InChIKey is VXBZDEXPGMXRPM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31NO/c1-4-6-13-18(14-7-5-2)20-19(16-21-3)15-17-11-9-8-10-12-17/h8-12,19H,4-7,13-16H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine has a molecular weight of 289.46 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]nonan-5-imine is sourced from PubChem (CID 12696670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).