N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine

C17H32N2O — CID 15308913

IUPACN-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine
SMILESC=CC(CCC)/N=C(/N1CCC[C@H]1COC)C(C)(C)C
InChIInChI=1S/C17H32N2O/c1-7-10-14(8-2)18-16(17(3,4)5)19-12-9-11-15(19)13-20-6/h8,14-15H,2,7,9-13H2,1,3-6H3/b18-16+/t14?,15-/m0/s1
InChIKeyCGKRMEDWWZJDRI-DGCGIPQCSA-N
MW280.46 g/mol
LogP3.90
Rot. Bonds6

About N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine

N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine (PubChem CID 15308913) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine
PubChem CID15308913
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine
SMILESC=CC(CCC)/N=C(/N1CCC[C@H]1COC)C(C)(C)C
InChIInChI=1S/C17H32N2O/c1-7-10-14(8-2)18-16(17(3,4)5)19-12-9-11-15(19)13-20-6/h8,14-15H,2,7,9-13H2,1,3-6H3/b18-16+/t14?,15-/m0/s1
InChIKeyCGKRMEDWWZJDRI-DGCGIPQCSA-N
XLogP3.90
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-hexa-1,5-dien-3-yl-1-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine
CID 11110082
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
3-amino-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexane-1,2-dione
CID 145466754
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508
(2S)-1-[(Z,5R)-5,6-dimethylhept-3-en-3-yl]-2-(methoxymethyl)pyrrolidine
CID 10823923
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241692
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139

Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine?
The IUPAC name of N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine (CID 15308913) is N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine is C=CC(CCC)/N=C(/N1CCC[C@H]1COC)C(C)(C)C.
What is the InChIKey of N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine?
The InChIKey is CGKRMEDWWZJDRI-DGCGIPQCSA-N. The full InChI is InChI=1S/C17H32N2O/c1-7-10-14(8-2)18-16(17(3,4)5)19-12-9-11-15(19)13-20-6/h8,14-15H,2,7,9-13H2,1,3-6H3/b18-16+/t14?,15-/m0/s1.
What are the key properties of N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine?
N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine has a molecular weight of 280.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-en-3-yl-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 15308913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).