(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

C17H26N2 — CID 177410895

IUPAC(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCC(C)C[C@@H]1CCCN1/N=C/CCc1ccccc1
InChIInChI=1S/C17H26N2/c1-15(2)14-17-11-7-13-19(17)18-12-6-10-16-8-4-3-5-9-16/h3-5,8-9,12,15,17H,6-7,10-11,13-14H2,1-2H3/b18-12+/t17-/m0/s1
InChIKeyFYRRRTOAPSDPRH-BOFQVRIASA-N
MW258.41 g/mol
LogP4.12
Rot. Bonds6

About (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (PubChem CID 177410895) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
PubChem CID177410895
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCC(C)C[C@@H]1CCCN1/N=C/CCc1ccccc1
InChIInChI=1S/C17H26N2/c1-15(2)14-17-11-7-13-19(17)18-12-6-10-16-8-4-3-5-9-16/h3-5,8-9,12,15,17H,6-7,10-11,13-14H2,1-2H3/b18-12+/t17-/m0/s1
InChIKeyFYRRRTOAPSDPRH-BOFQVRIASA-N
XLogP4.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.12
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

(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 101166696
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
(E,2S)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 177438827
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 15971722
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 63249483
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The IUPAC name of (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (CID 177410895) is (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The canonical SMILES for (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is CC(C)C[C@@H]1CCCN1/N=C/CCc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The InChIKey is FYRRRTOAPSDPRH-BOFQVRIASA-N. The full InChI is InChI=1S/C17H26N2/c1-15(2)14-17-11-7-13-19(17)18-12-6-10-16-8-4-3-5-9-16/h3-5,8-9,12,15,17H,6-7,10-11,13-14H2,1-2H3/b18-12+/t17-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine has a molecular weight of 258.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is sourced from PubChem (CID 177410895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).