(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

C19H30N2O — CID 101166696

IUPAC(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCCC(CC)(OC)[C@@H]1CCCN1/N=C\CCc1ccccc1
InChIInChI=1S/C19H30N2O/c1-4-19(5-2,22-3)18-14-10-16-21(18)20-15-9-13-17-11-7-6-8-12-17/h6-8,11-12,15,18H,4-5,9-10,13-14,16H2,1-3H3/b20-15-/t18-/m0/s1
InChIKeyXRWCUCHXOAOZPA-BAOGPQIGSA-N
MW302.46 g/mol
LogP4.27
Rot. Bonds8

About (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (PubChem CID 101166696) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
PubChem CID101166696
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCCC(CC)(OC)[C@@H]1CCCN1/N=C\CCc1ccccc1
InChIInChI=1S/C19H30N2O/c1-4-19(5-2,22-3)18-14-10-16-21(18)20-15-9-13-17-11-7-6-8-12-17/h6-8,11-12,15,18H,4-5,9-10,13-14,16H2,1-3H3/b20-15-/t18-/m0/s1
InChIKeyXRWCUCHXOAOZPA-BAOGPQIGSA-N
XLogP4.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 177410895
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-(3-methylbut-2-enoxy)-1-phenylethanimine
CID 134880725
(1E,2R,3R)-3-ethenyl-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-methyl-1-phenylhexan-2-ol
CID 134930758
(E)-2-[(E)-3,4-dimethylpent-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]ethanimine
CID 134880516
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-[(E)-3-methylhex-2-enoxy]-1-phenylethanimine
CID 134880451
2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
CID 89390542
(E)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
CID 110173535
N-methoxy-3-phenylpropan-1-imine
CID 73200493
(2S)-2-[methoxy(diphenyl)methyl]-1-nitrosopyrrolidine
CID 10494163
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 15971722
(5S)-5-ethyl-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3,5-diphenyl-1,2,4-oxadiazole
CID 100988998
methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate
CID 10902788

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The IUPAC name of (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (CID 101166696) is (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The canonical SMILES for (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is CCC(CC)(OC)[C@@H]1CCCN1/N=C\CCc1ccccc1.
What is the InChIKey of (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The InChIKey is XRWCUCHXOAOZPA-BAOGPQIGSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-19(5-2,22-3)18-14-10-16-21(18)20-15-9-13-17-11-7-6-8-12-17/h6-8,11-12,15,18H,4-5,9-10,13-14,16H2,1-3H3/b20-15-/t18-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine has a molecular weight of 302.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is sourced from PubChem (CID 101166696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).